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

Systemtic Name: 2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methylthio]-1H-pyrimidin-6-one Formula: C13H11N5OS2 MolecularWeight: 317.38934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)CSC3=NC=CC(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)CSC3=NC=CC(=O)N3

InChI

InChI=1S/C13H11N5OS2/c19-11-6-7-14-12(15-11)21-8-10-16-17-13(20)18(10)9-4-2-1-3-5-9/h1-7H,8H2,(H,17,20)(H,14,15,19)