2-[[2-(5-chloranyl-4-sulfanylidene-cyclohexa-1,5-dien-1-yl)oxyphenyl]amino]-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 2-[[2-(5-chloranyl-4-sulfanylidene-cyclohexa-1,5-dien-1-yl)oxyphenyl]amino]-6-nitro-quinoline-3-carbonitrile Openeye Name: 2-[2-(5-chloro-4-thioxo-cyclohexa-1,5-dien-1-yl)oxyanilino]-6-nitro-quinoline-3-carbonitrile CAS Name: 2-[2-[(5-chloro-4-sulfanylidene-1-cyclohexa-1,5-dienyl)oxy]anilino]-6-nitro-3-quinolinecarbonitrile IUPAC Name: 2-[2-(5-chloro-4-sulfanylidenecyclohexa-1,5-dien-1-yl)oxyanilino]-6-nitroquinoline-3-carbonitrile Traditional Name: 2-[2-(5-chloro-4-thioxo-cyclohexa-1,5-dien-1-yl)oxyanilino]-6-nitro-quinoline-3-carbonitrile Formula: C22H13ClN4O3S MolecularWeight: 448.88162

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=C(C1=S)Cl)OC2=CC=CC=C2NC3=NC4=C(C=C(C=C4)[N+](=O)[O-])C=C3C#N

Isomeric SMILES

C1C=C(C=C(C1=S)Cl)OC2=CC=CC=C2NC3=NC4=C(C=C(C=C4)[N+](=O)[O-])C=C3C#N

InChI

InChI=1S/C22H13ClN4O3S/c23-17-11-16(6-8-21(17)31)30-20-4-2-1-3-19(20)26-22-14(12-24)9-13-10-15(27(28)29)5-7-18(13)25-22/h1-7,9-11H,8H2,(H,25,26)