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

Systemtic Name: 3-[(2-chlorophenyl)methyl]-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-[(2-chlorophenyl)methyl]-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-[(2-chlorophenyl)methyl]-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-[(2-chlorophenyl)methyl]-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(2-chlorobenzyl)-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C17H10ClN3O3S2 MolecularWeight: 403.8626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10ClN3O3S2/c18-12-4-2-1-3-9(12)8-20-16(22)15-14(19-17(20)25)11-7-10(21(23)24)5-6-13(11)26-15/h1-7H,8H2,(H,19,25)