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

Systemtic Name: 4-[[3-chloranyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenyl]amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-[(4-phenylthiazol-2-yl)methyl]anilino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(4-phenyl-2-thiazolyl)methyl]anilino]-7-ethoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]anilino]-7-ethoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(4-phenylthiazol-2-yl)methyl]anilino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile Formula: C28H20ClN5O3S MolecularWeight: 542.0081

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)CC4=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)CC4=NC(=CS4)C5=CC=CC=C5)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C28H20ClN5O3S/c1-2-37-26-13-23-21(12-25(26)34(35)36)28(19(14-30)15-31-23)32-20-9-8-18(22(29)11-20)10-27-33-24(16-38-27)17-6-4-3-5-7-17/h3-9,11-13,15-16H,2,10H2,1H3,(H,31,32)