2-[[5-(4-methoxyphenyl)-4-propan-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-[[5-(4-methoxyphenyl)-4-propan-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-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[5-(4-methoxyphenyl)-4-propan-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-[[5-(4-methoxyphenyl)-4-propan-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-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C23H25N5O2S2 MolecularWeight: 467.6069

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)C5=CC=C(C=C5)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)C5=CC=C(C=C5)OC

InChI

InChI=1S/C23H25N5O2S2/c1-13(2)28-20(14-8-10-15(30-3)11-9-14)26-27-23(28)31-12-18-24-21(29)19-16-6-4-5-7-17(16)32-22(19)25-18/h8-11,13H,4-7,12H2,1-3H3,(H,24,25,29)