2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C17H14N6OS2 MolecularWeight: 382.46266

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CS3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CS3)C4=CC=NC=C4

InChI

InChI=1S/C17H14N6OS2/c1-2-8-23-15(11-3-6-18-7-4-11)21-22-17(23)26-10-13-19-12-5-9-25-14(12)16(24)20-13/h2-7,9H,1,8,10H2,(H,19,20,24)