4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[4-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[4-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[4-(morpholinomethyl)phenyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[4-(4-morpholinylmethyl)phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[4-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[4-(morpholinomethyl)phenyl]quinoline-3-carbonitrile Formula: C33H27ClN4OS MolecularWeight: 563.11168

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=CC=CC=C6)Cl)C#N

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=CC=CC=C6)Cl)C#N

InChI

InChI=1S/C33H27ClN4OS/c34-30-19-27(11-13-32(30)40-28-4-2-1-3-5-28)37-33-26(20-35)21-36-31-18-25(10-12-29(31)33)24-8-6-23(7-9-24)22-38-14-16-39-17-15-38/h1-13,18-19,21H,14-17,22H2,(H,36,37)