2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenyl-ethanone

Systemtic Name: 2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenyl-ethanone Openeye Name: 2-[[4-allyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenyl-ethanone CAS Name: 2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1,2-diphenylethanone IUPAC Name: 2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenylethanone Traditional Name: 2-[[4-allyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-1,2-diphenyl-ethanone Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O3S/c1-2-16-28-24(20-14-9-15-21(17-20)29(31)32)26-27-25(28)33-23(19-12-7-4-8-13-19)22(30)18-10-5-3-6-11-18/h2-15,17,23H,1,16H2