3-[[5-(3,4-dichlorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one

Systemtic Name: 3-[[5-(3,4-dichlorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one Openeye Name: 3-[[5-(3,4-dichlorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one CAS Name: 3-[[5-(3,4-dichlorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-6-nitro-4-phenyl-1H-quinolin-2-one IUPAC Name: 3-[[5-(3,4-dichlorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one Traditional Name: 3-[[5-(3,4-dichlorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-6-nitro-4-phenyl-carbostyril Formula: C31H21Cl2N5O3S MolecularWeight: 614.50114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SC3=C(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SC3=C(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl

InChI

InChI=1S/C31H21Cl2N5O3S/c32-24-13-11-21(17-25(24)33)29-35-36-31(37(29)16-15-19-7-3-1-4-8-19)42-28-27(20-9-5-2-6-10-20)23-18-22(38(40)41)12-14-26(23)34-30(28)39/h1-14,17-18H,15-16H2,(H,34,39)