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

Systemtic Name: 3-cyclohexyl-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-cyclohexyl-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-cyclohexyl-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-cyclohexyl-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-cyclohexyl-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C16H15N3O3S2 MolecularWeight: 361.4386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])NC2=S

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])NC2=S

InChI

InChI=1S/C16H15N3O3S2/c20-15-14-13(11-8-10(19(21)22)6-7-12(11)24-14)17-16(23)18(15)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,17,23)