(2,4-dimethyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl)-(4-nitrophenyl)methanone

Systemtic Name: (2,4-dimethyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl)-(4-nitrophenyl)methanone Openeye Name: (2,4-dimethyl-5-thioxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-(4-nitrophenyl)methanone CAS Name: (2,4-dimethyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl)-(4-nitrophenyl)methanone IUPAC Name: (2,4-dimethyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl)-(4-nitrophenyl)methanone Traditional Name: (2,4-dimethyl-5-thioxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-(4-nitrophenyl)methanone Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=S)N(C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC2=C1C(=S)N(C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H13N3O3S/c1-9-7-10(2)17-13-8-18(16(23)14(9)13)15(20)11-3-5-12(6-4-11)19(21)22/h3-7H,8H2,1-2H3