4-[[3-chloranyl-4-(4-sulfanylphenoxy)phenyl]amino]-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(4-sulfanylphenoxy)phenyl]amino]-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(4-sulfanylphenoxy)anilino]-6-nitro-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(4-mercaptophenoxy)anilino]-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(4-sulfanylphenoxy)anilino]-6-nitroquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(4-mercaptophenoxy)anilino]-6-nitro-quinoline-3-carbonitrile Formula: C22H13ClN4O3S MolecularWeight: 448.88162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=C(C=C(C=C2)NC3=C4C=C(C=CC4=NC=C3C#N)[N+](=O)[O-])Cl)S

Isomeric SMILES

C1=CC(=CC=C1OC2=C(C=C(C=C2)NC3=C4C=C(C=CC4=NC=C3C#N)[N+](=O)[O-])Cl)S

InChI

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