8-nitro-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 8-nitro-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 8-nitro-3-(3-pyridylmethyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 8-nitro-3-(3-pyridinylmethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 8-nitro-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 8-nitro-3-(3-pyridylmethyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C16H10N4O3S2 MolecularWeight: 370.4056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])NC2=S

Isomeric SMILES

C1=CC(=CN=C1)CN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])NC2=S

InChI

InChI=1S/C16H10N4O3S2/c21-15-14-13(11-6-10(20(22)23)3-4-12(11)25-14)18-16(24)19(15)8-9-2-1-5-17-7-9/h1-7H,8H2,(H,18,24)