5-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H17N5OS2 MolecularWeight: 383.49048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC(C)N1C=NN=C1SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C18H17N5OS2/c1-11(2)23-10-19-22-18(23)26-9-14-20-16(24)15-13(8-25-17(15)21-14)12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3,(H,20,21,24)