(3-azanyl-1,2,4-triazol-4-yl)-[2-(phenylmethylsulfanyl)phenyl]methanone

Systemtic Name: (3-azanyl-1,2,4-triazol-4-yl)-[2-(phenylmethylsulfanyl)phenyl]methanone Openeye Name: (3-amino-1,2,4-triazol-4-yl)-(2-benzylsulfanylphenyl)methanone CAS Name: (3-amino-1,2,4-triazol-4-yl)-[2-(phenylmethylthio)phenyl]methanone IUPAC Name: (3-amino-1,2,4-triazol-4-yl)-(2-benzylsulfanylphenyl)methanone Traditional Name: (3-amino-1,2,4-triazol-4-yl)-[2-(benzylthio)phenyl]methanone Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)N3C=NN=C3N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)N3C=NN=C3N

InChI

InChI=1S/C16H14N4OS/c17-16-19-18-11-20(16)15(21)13-8-4-5-9-14(13)22-10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H2,17,19)