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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCC3=CC(=O)NC(=S)N3

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCC3=CC(=O)NC(=S)N3

InChI

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