5,6-dimethyl-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylthio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methylthio]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H15N5OS3 MolecularWeight: 401.5289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC3=NNC(=S)N3C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC3=NNC(=S)N3C4=CC=CC=C4)C

InChI

InChI=1S/C17H15N5OS3/c1-9-10(2)26-15-13(9)14(23)18-16(19-15)25-8-12-20-21-17(24)22(12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,21,24)(H,18,19,23)