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

Systemtic Name: 4-[[3-chloranyl-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]phenyl]amino]-7-methoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(4-phenylthiazol-2-yl)sulfanyl-anilino]-7-methoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(4-phenyl-2-thiazolyl)thio]anilino]-7-methoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]anilino]-7-methoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(4-phenylthiazol-2-yl)thio]anilino]-7-methoxy-6-nitro-quinoline-3-carbonitrile Formula: C26H16ClN5O3S2 MolecularWeight: 546.01994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C26H16ClN5O3S2/c1-35-23-11-20-18(10-22(23)32(33)34)25(16(12-28)13-29-20)30-17-7-8-24(19(27)9-17)37-26-31-21(14-36-26)15-5-3-2-4-6-15/h2-11,13-14H,1H3,(H,29,30)