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

Systemtic Name: 2-[[3-chloranyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]amino]-7-methoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 2-(3-chloro-4-thiazol-2-ylsulfanyl-anilino)-7-methoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 2-[3-chloro-4-(2-thiazolylthio)anilino]-7-methoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 2-[3-chloro-4-(1,3-thiazol-2-ylsulfanyl)anilino]-7-methoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 2-[3-chloro-4-(thiazol-2-ylthio)anilino]-7-methoxy-6-nitro-quinoline-3-carbonitrile Formula: C20H12ClN5O3S2 MolecularWeight: 469.92398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=NC2=C1)NC3=CC(=C(C=C3)SC4=NC=CS4)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C2C=C(C(=NC2=C1)NC3=CC(=C(C=C3)SC4=NC=CS4)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H12ClN5O3S2/c1-29-17-9-15-11(7-16(17)26(27)28)6-12(10-22)19(25-15)24-13-2-3-18(14(21)8-13)31-20-23-4-5-30-20/h2-9H,1H3,(H,24,25)