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

Systemtic Name: 5-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C13H13N7OS2 MolecularWeight: 347.41862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=NNC(=N3)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=NNC(=N3)N

InChI

InChI=1S/C13H13N7OS2/c1-7-2-4-8(5-3-7)15-10(21)11-18-17-9(23-11)6-22-13-16-12(14)19-20-13/h2-5H,6H2,1H3,(H,15,21)(H3,14,16,19,20)