5-[(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[[(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)thio]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C19H16N5OS3- MolecularWeight: 426.55824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC4=NN=C(N4C5=CC=CC=C5)[S-]

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC4=NN=C(N4C5=CC=CC=C5)[S-]

InChI

InChI=1S/C19H17N5OS3/c25-16-15-12-8-4-5-9-13(12)28-17(15)21-18(20-16)27-10-14-22-23-19(26)24(14)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,23,26)(H,20,21,25)/p-1