4-(4-methylphenyl)-2-phenacylsulfanyl-pyrido[3,2-c]cinnoline-3-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-phenacylsulfanyl-pyrido[3,2-c]cinnoline-3-carbonitrile Openeye Name: 2-phenacylsulfanyl-4-(p-tolyl)pyrido[3,2-c]cinnoline-3-carbonitrile CAS Name: 4-(4-methylphenyl)-2-(phenacylthio)-3-pyrido[3,2-c]cinnolinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-2-phenacylsulfanylpyrido[3,2-c]cinnoline-3-carbonitrile Traditional Name: 2-(phenacylthio)-4-(p-tolyl)pyrido[3,2-c]cinnoline-3-carbonitrile Formula: C27H18N4OS MolecularWeight: 446.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC3=C2N=NC4=CC=CC=C43)SCC(=O)C5=CC=CC=C5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC3=C2N=NC4=CC=CC=C43)SCC(=O)C5=CC=CC=C5)C#N

InChI

InChI=1S/C27H18N4OS/c1-17-11-13-19(14-12-17)24-21(15-28)27(33-16-23(32)18-7-3-2-4-8-18)29-25-20-9-5-6-10-22(20)30-31-26(24)25/h2-14H,16H2,1H3