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

Systemtic Name: 4-[[3-chloranyl-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]phenyl]amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(4-phenylthiazol-2-yl)sulfanyl-anilino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(4-phenyl-2-thiazolyl)thio]anilino]-7-ethoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]anilino]-7-ethoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(4-phenylthiazol-2-yl)thio]anilino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile Formula: C27H18ClN5O3S2 MolecularWeight: 560.04652

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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+](=O)[O-]

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+](=O)[O-]

InChI

InChI=1S/C27H18ClN5O3S2/c1-2-36-24-12-21-19(11-23(24)33(34)35)26(17(13-29)14-30-21)31-18-8-9-25(20(28)10-18)38-27-32-22(15-37-27)16-6-4-3-5-7-16/h3-12,14-15H,2H2,1H3,(H,30,31)