N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide

Systemtic Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3OC

InChI

InChI=1S/C18H18N4O2S/c1-12-6-5-7-13(10-12)17(23)19-11-16-20-21-18(25)22(16)14-8-3-4-9-15(14)24-2/h3-10H,11H2,1-2H3,(H,19,23)(H,21,25)