6-azanyl-4-[[3-chloranyl-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]phenyl]amino]-7-ethoxy-quinoline-3-carbonitrile

Systemtic Name: 6-azanyl-4-[[3-chloranyl-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]phenyl]amino]-7-ethoxy-quinoline-3-carbonitrile Openeye Name: 6-amino-4-[3-chloro-4-(4-phenylthiazol-2-yl)sulfanyl-anilino]-7-ethoxy-quinoline-3-carbonitrile CAS Name: 6-amino-4-[3-chloro-4-[(4-phenyl-2-thiazolyl)thio]anilino]-7-ethoxy-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-[3-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]anilino]-7-ethoxyquinoline-3-carbonitrile Traditional Name: 6-amino-4-[3-chloro-4-[(4-phenylthiazol-2-yl)thio]anilino]-7-ethoxy-quinoline-3-carbonitrile Formula: C27H20ClN5OS2 MolecularWeight: 530.0636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC(=CS4)C5=CC=CC=C5)Cl)C#N)N

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC(=CS4)C5=CC=CC=C5)Cl)C#N)N

InChI

InChI=1S/C27H20ClN5OS2/c1-2-34-24-12-22-19(11-21(24)30)26(17(13-29)14-31-22)32-18-8-9-25(20(28)10-18)36-27-33-23(15-35-27)16-6-4-3-5-7-16/h3-12,14-15H,2,30H2,1H3,(H,31,32)