2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C23H19N5OS3 MolecularWeight: 477.62486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C23H19N5OS3/c29-21-19-15-9-4-5-10-16(15)32-22(19)25-18(24-21)13-31-23-27-26-20(17-11-6-12-30-17)28(23)14-7-2-1-3-8-14/h1-3,6-8,11-12H,4-5,9-10,13H2,(H,24,25,29)