4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-(morpholin-4-ylmethyl)furan-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-(morpholin-4-ylmethyl)furan-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[5-(morpholinomethyl)-2-furyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-(4-morpholinylmethyl)-2-furanyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[5-(morpholin-4-ylmethyl)furan-2-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-(morpholinomethyl)-2-furyl]quinoline-3-carbonitrile Formula: C31H25ClN4O2S MolecularWeight: 553.0738

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(O2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=CC=CC=C6)Cl)C#N

Isomeric SMILES

C1COCCN1CC2=CC=C(O2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=CC=CC=C6)Cl)C#N

InChI

InChI=1S/C31H25ClN4O2S/c32-27-17-23(7-11-30(27)39-25-4-2-1-3-5-25)35-31-22(18-33)19-34-28-16-21(6-9-26(28)31)29-10-8-24(38-29)20-36-12-14-37-15-13-36/h1-11,16-17,19H,12-15,20H2,(H,34,35)