2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-nitrophenyl)ethanone Openeye Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-nitrophenyl)ethanone CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-nitrophenyl)ethanone Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-1-(3-nitrophenyl)ethanone Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H13N3O3S2/c1-9-10(2)24-16-14(9)15(17-8-18-16)23-7-13(20)11-4-3-5-12(6-11)19(21)22/h3-6,8H,7H2,1-2H3