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

Systemtic Name: (4-bromophenyl)-[2-cyclopropyl-4-(4-methoxyphenyl)-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl]methanone Openeye Name: (4-bromophenyl)-[2-cyclopropyl-4-(4-methoxyphenyl)-5-thioxo-7H-pyrrolo[3,4-b]pyridin-6-yl]methanone CAS Name: (4-bromophenyl)-[2-cyclopropyl-4-(4-methoxyphenyl)-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl]methanone IUPAC Name: (4-bromophenyl)-[2-cyclopropyl-4-(4-methoxyphenyl)-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl]methanone Traditional Name: (4-bromophenyl)-[2-cyclopropyl-4-(4-methoxyphenyl)-5-thioxo-7H-pyrrolo[3,4-b]pyridin-6-yl]methanone Formula: C24H19BrN2O2S MolecularWeight: 479.38886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=S)N(C3)C(=O)C4=CC=C(C=C4)Br)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=S)N(C3)C(=O)C4=CC=C(C=C4)Br)C5CC5

InChI

InChI=1S/C24H19BrN2O2S/c1-29-18-10-6-14(7-11-18)19-12-20(15-2-3-15)26-21-13-27(24(30)22(19)21)23(28)16-4-8-17(25)9-5-16/h4-12,15H,2-3,13H2,1H3