4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-iodanyl-quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-iodanyl-quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-iodo-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-iodo-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-iodoquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-iodo-quinoline-3-carbonitrile Formula: C22H13ClIN3S MolecularWeight: 513.78119

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)I)Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)I)Cl

InChI

InChI=1S/C22H13ClIN3S/c23-19-11-16(7-9-21(19)28-17-4-2-1-3-5-17)27-22-14(12-25)13-26-20-10-15(24)6-8-18(20)22/h1-11,13H,(H,26,27)