3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Formula: C17H19N5S2 MolecularWeight: 357.49626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NNC(=S)N2CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NNC(=S)N2CCC3=CC=CC=C3)C

InChI

InChI=1S/C17H19N5S2/c1-12-10-13(2)19-16(18-12)24-11-15-20-21-17(23)22(15)9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,21,23)