6-chloranyl-3-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one

Systemtic Name: 6-chloranyl-3-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one Openeye Name: 6-chloro-3-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one CAS Name: 6-chloro-3-[[4-cyclohexyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-4-phenyl-1H-quinolin-2-one IUPAC Name: 6-chloro-3-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one Traditional Name: 6-chloro-3-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-4-phenyl-carbostyril Formula: C28H24ClN5OS MolecularWeight: 514.04106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SC3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5)C6=CN=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SC3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5)C6=CN=CC=C6

InChI

InChI=1S/C28H24ClN5OS/c29-20-13-14-23-22(16-20)24(18-8-3-1-4-9-18)25(27(35)31-23)36-28-33-32-26(19-10-7-15-30-17-19)34(28)21-11-5-2-6-12-21/h1,3-4,7-10,13-17,21H,2,5-6,11-12H2,(H,31,35)