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

Systemtic Name: (2-nitrophenyl)-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]methanone Openeye Name: (3-benzylsulfanyl-1,2,4-triazol-1-yl)-(2-nitrophenyl)methanone CAS Name: (2-nitrophenyl)-[3-(phenylmethylthio)-1,2,4-triazol-1-yl]methanone IUPAC Name: (3-benzylsulfanyl-1,2,4-triazol-1-yl)-(2-nitrophenyl)methanone Traditional Name: [3-(benzylthio)-1,2,4-triazol-1-yl]-(2-nitrophenyl)methanone Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C=N2)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C=N2)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O3S/c21-15(13-8-4-5-9-14(13)20(22)23)19-11-17-16(18-19)24-10-12-6-2-1-3-7-12/h1-9,11H,10H2