4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[4-[(4-pyridylmethylamino)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[4-[(4-pyridylmethylamino)methyl]phenyl]quinoline-3-carbonitrile Formula: C35H26ClN5S MolecularWeight: 584.13244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CC=C(C=C5)CNCC6=CC=NC=C6)Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CC=C(C=C5)CNCC6=CC=NC=C6)Cl

InChI

InChI=1S/C35H26ClN5S/c36-32-19-29(11-13-34(32)42-30-4-2-1-3-5-30)41-35-28(20-37)23-40-33-18-27(10-12-31(33)35)26-8-6-24(7-9-26)21-39-22-25-14-16-38-17-15-25/h1-19,23,39H,21-22H2,(H,40,41)