N-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide CAS Name: N-[[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide Traditional Name: N-[[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Formula: C16H16N4OS2 MolecularWeight: 344.45444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)CNC(=O)C3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C16H16N4OS2/c1-20-14(10-17-15(21)13-8-5-9-22-13)18-19-16(20)23-11-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,17,21)