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

Systemtic Name: 3-[[4-(4-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloranyl-4-phenyl-1H-quinolin-2-one Openeye Name: 3-[[4-(4-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-4-phenyl-1H-quinolin-2-one CAS Name: 3-[[4-(4-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-6-chloro-4-phenyl-1H-quinolin-2-one IUPAC Name: 3-[[4-(4-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-4-phenyl-1H-quinolin-2-one Traditional Name: 3-[[4-(4-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-6-chloro-4-phenyl-carbostyril Formula: C31H25ClN4OS2 MolecularWeight: 569.1394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=C2SC3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=C2SC3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C31H25ClN4OS2/c1-2-3-8-20-12-15-23(16-13-20)36-29(26-11-7-18-38-26)34-35-31(36)39-28-27(21-9-5-4-6-10-21)24-19-22(32)14-17-25(24)33-30(28)37/h4-7,9-19H,2-3,8H2,1H3,(H,33,37)