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

Systemtic Name: 3-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one Openeye Name: 3-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one CAS Name: 3-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-6-nitro-4-phenyl-1H-quinolin-2-one IUPAC Name: 3-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one Traditional Name: 3-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-6-nitro-4-phenyl-carbostyril Formula: C29H25N5O3S MolecularWeight: 523.6055

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SC3=C(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SC3=C(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H25N5O3S/c35-28-26(25(19-10-4-1-5-11-19)23-18-22(34(36)37)16-17-24(23)30-28)38-29-32-31-27(20-12-6-2-7-13-20)33(29)21-14-8-3-9-15-21/h1-2,4-7,10-13,16-18,21H,3,8-9,14-15H2,(H,30,35)