(1Z,2Z)-2-methoxyimino-N-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-1,2,4-triazol-4-ium-4-yl]-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanimidate

Systemtic Name: (1Z,2Z)-2-methoxyimino-N-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-1,2,4-triazol-4-ium-4-yl]-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanimidate Openeye Name: (1Z,2Z)-N-[1-(2-tert-butoxy-2-oxo-ethyl)-1,2,4-triazol-4-ium-4-yl]-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]ethanimidate CAS Name: (1Z,2Z)-2-methoxyimino-N-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2,4-triazol-4-ium-4-yl]-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethanimidate IUPAC Name: (1Z,2Z)-2-methoxyimino-N-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2,4-triazol-4-ium-4-yl]-2-[2-(tritylamino)-1,3-thiazol-4-yl]ethanimidate Traditional Name: (1Z,2Z)-N-[1-(2-tert-butoxy-2-keto-ethyl)-1,2,4-triazol-4-ium-4-yl]-2-methyloximino-2-[2-(tritylamino)thiazol-4-yl]acetimidate Formula: C33H33N7O4S MolecularWeight: 623.72462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=[N+](C=N1)N=C(C(=NOC)C2=CSC(=N2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=[N+](C=N1)/N=C(/C(=N\OC)/C2=CSC(=N2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)\[O-]

InChI

InChI=1S/C33H33N7O4S/c1-32(2,3)44-28(41)20-39-23-40(22-34-39)37-30(42)29(38-43-4)27-21-45-31(35-27)36-33(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,21-23H,20H2,1-4H3,(H-,35,36,37,42)/b38-29-