3-[1-(3-nitrophenyl)ethylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[1-(3-nitrophenyl)ethylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[1-(3-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[1-(3-nitrophenyl)ethylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[1-(3-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[1-(3-nitrophenyl)ethylthio]-1H-1,2,4-triazol-5-one Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C17H16N4O3S/c1-12(14-8-5-9-15(10-14)21(23)24)25-17-19-18-16(22)20(17)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,18,22)