2-(4-butylphenyl)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanimidate

Systemtic Name: 2-(4-butylphenyl)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanimidate Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-2-(4-butylphenyl)ethanimidate CAS Name: 2-(4-butylphenyl)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]ethanimidate IUPAC Name: 2-(4-butylphenyl)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanimidate Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-2-(4-butylphenyl)acetimidate Formula: C21H24N5OS2- MolecularWeight: 426.57816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(=NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(=NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)[O-]

InChI

InChI=1S/C21H25N5OS2/c1-4-6-7-15-8-10-16(11-9-15)13-17(27)23-20-22-14(3)18(29-20)19-24-25-21(28)26(19)12-5-2/h5,8-11H,2,4,6-7,12-13H2,1,3H3,(H,25,28)(H,22,23,27)/p-1