2-[(2-phenyl-1,2,3-triazol-4-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(2-phenyl-1,2,3-triazol-4-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(2-phenyltriazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2-phenyl-4-triazolyl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(2-phenyltriazol-4-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(2-phenyltriazol-4-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C18H15N5OS2 MolecularWeight: 381.4746

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=NN(N=C3)C4=CC=CC=C4)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=NN(N=C3)C4=CC=CC=C4)SC=C2

InChI

InChI=1S/C18H15N5OS2/c1-2-9-22-17(24)15-8-10-25-16(15)20-18(22)26-12-13-11-19-23(21-13)14-6-4-3-5-7-14/h2-8,10-11H,1,9,12H2