2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one

Systemtic Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one Openeye Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentanone CAS Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-cyclopentanone IUPAC Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one Traditional Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]cyclopentanone Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(C(=O)C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O3S/c24-16-7-4-8-17(16)27-19-21-20-18(22(19)14-5-2-1-3-6-14)13-9-11-15(12-10-13)23(25)26/h1-3,5-6,9-12,17H,4,7-8H2