4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[5-(morpholinomethyl)-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-(4-morpholinylmethyl)-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-(morpholinomethyl)-3-thienyl]quinoline-3-carbonitrile Formula: C31H25ClN4OS2 MolecularWeight: 569.1394

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=CS2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=CC=CC=C6)Cl)C#N

Isomeric SMILES

C1COCCN1CC2=CC(=CS2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=CC=CC=C6)Cl)C#N

InChI

InChI=1S/C31H25ClN4OS2/c32-28-16-24(7-9-30(28)39-25-4-2-1-3-5-25)35-31-23(17-33)18-34-29-15-21(6-8-27(29)31)22-14-26(38-20-22)19-36-10-12-37-13-11-36/h1-9,14-16,18,20H,10-13,19H2,(H,34,35)