N-(4-methylphenyl)-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(4-methylphenyl)-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-methylphenyl)-5-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(4-methylphenyl)-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C19H16N6OS2 MolecularWeight: 408.49994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C19H16N6OS2/c1-13-7-9-14(10-8-13)21-17(26)18-23-22-16(28-18)11-27-19-24-20-12-25(19)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,21,26)