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

Systemtic Name: 4-[[3-chloranyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]amino]-7-methoxy-6-nitro-quinoline-3-carbonitrile hydrochloride Openeye Name: 4-(3-chloro-4-thiazol-2-ylsulfanyl-anilino)-7-methoxy-6-nitro-quinoline-3-carbonitrile hydrochloride CAS Name: 4-[3-chloro-4-(2-thiazolylthio)anilino]-7-methoxy-6-nitro-3-quinolinecarbonitrile hydrochloride IUPAC Name: 4-[3-chloro-4-(1,3-thiazol-2-ylsulfanyl)anilino]-7-methoxy-6-nitroquinoline-3-carbonitrile hydrochloride Traditional Name: 4-[3-chloro-4-(thiazol-2-ylthio)anilino]-7-methoxy-6-nitro-quinoline-3-carbonitrile hydrochloride Formula: C20H13Cl2N5O3S2 MolecularWeight: 506.38492

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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)Cl)C#N)[N+](=O)[O-].Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC=CS4)Cl)C#N)[N+](=O)[O-].Cl

InChI

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