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

Systemtic Name: N-(3-nitrophenyl)-2-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]ethanamide Openeye Name: 2-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-(3-nitrophenyl)acetamide CAS Name: N-(3-nitrophenyl)-2-[3-(phenylmethylthio)-1,2,4-triazol-1-yl]acetamide IUPAC Name: 2-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-(3-nitrophenyl)acetamide Traditional Name: 2-[3-(benzylthio)-1,2,4-triazol-1-yl]-N-(3-nitrophenyl)acetamide Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C=N2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C=N2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S/c23-16(19-14-7-4-8-15(9-14)22(24)25)10-21-12-18-17(20-21)26-11-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,19,23)