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

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C26H23N5OS2 MolecularWeight: 485.62372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C26H23N5OS2/c1-16-12-13-19-20(14-16)34-25-22(19)24(32)27-21(28-25)15-33-26-30-29-23(17-8-4-2-5-9-17)31(26)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,27,28,32)