[4-(4-methoxyphenyl)-2-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl]-(4-methylphenyl)methanone

Systemtic Name: [4-(4-methoxyphenyl)-2-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl]-(4-methylphenyl)methanone Openeye Name: [4-(4-methoxyphenyl)-2-phenyl-5-thioxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-(p-tolyl)methanone CAS Name: [4-(4-methoxyphenyl)-2-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl]-(4-methylphenyl)methanone IUPAC Name: [4-(4-methoxyphenyl)-2-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl]-(4-methylphenyl)methanone Traditional Name: [4-(4-methoxyphenyl)-2-phenyl-5-thioxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-(p-tolyl)methanone Formula: C28H22N2O2S MolecularWeight: 450.55148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC3=C(C2=S)C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC3=C(C2=S)C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H22N2O2S/c1-18-8-10-21(11-9-18)27(31)30-17-25-26(28(30)33)23(19-12-14-22(32-2)15-13-19)16-24(29-25)20-6-4-3-5-7-20/h3-16H,17H2,1-2H3