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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

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