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

Systemtic Name: 3-acetamido-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzenecarboximidate Openeye Name: 3-acetamido-N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]benzenecarboximidate CAS Name: 3-acetamido-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]benzenecarboximidate IUPAC Name: 3-acetamido-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzenecarboximidate Traditional Name: 3-acetamido-N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]benzenecarboximidate Formula: C18H17N6O2S2- MolecularWeight: 413.49658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(C2=CC(=CC=C2)NC(=O)C)[O-])C3=NNC(=S)N3CC=C

Isomeric SMILES

CC1=C(SC(=N1)N=C(C2=CC(=CC=C2)NC(=O)C)[O-])C3=NNC(=S)N3CC=C

InChI

InChI=1S/C18H18N6O2S2/c1-4-8-24-15(22-23-18(24)27)14-10(2)19-17(28-14)21-16(26)12-6-5-7-13(9-12)20-11(3)25/h4-7,9H,1,8H2,2-3H3,(H,20,25)(H,23,27)(H,19,21,26)/p-1