8-nitro-3-phenethyl-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 8-nitro-3-phenethyl-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 8-nitro-3-phenethyl-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 8-nitro-3-phenethyl-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 8-nitro-3-phenethyl-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 8-nitro-3-phenethyl-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])NC2=S

InChI

InChI=1S/C18H13N3O3S2/c22-17-16-15(13-10-12(21(23)24)6-7-14(13)26-16)19-18(25)20(17)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,25)