4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-3-nitro-benzaldehyde

Systemtic Name: 4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-3-nitro-benzaldehyde CAS Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-3-nitrobenzaldehyde IUPAC Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-3-nitrobenzaldehyde Traditional Name: 4-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-3-nitro-benzaldehyde Formula: C16H13N3O4S2 MolecularWeight: 375.42212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=C(C=C(C=C3)C=O)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=C(C=C(C=C3)C=O)[N+](=O)[O-])C

InChI

InChI=1S/C16H13N3O4S2/c1-8-9(2)25-16-14(8)15(21)17-13(18-16)7-24-12-4-3-10(6-20)5-11(12)19(22)23/h3-6H,7H2,1-2H3,(H,17,18,21)