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

Systemtic Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H21N5OS2 MolecularWeight: 423.55434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C21H21N5OS2/c1-12(2)18-24-25-21(26(18)14-8-9-14)29-11-16-22-19(27)17-15(10-28-20(17)23-16)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3,(H,22,23,27)