4-methyl-5-phenyl-2-(propan-2-ylsulfanylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-5-phenyl-2-(propan-2-ylsulfanylmethyl)-1,2,4-triazole-3-thione Openeye Name: 2-(isopropylsulfanylmethyl)-4-methyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-phenyl-2-[(propan-2-ylthio)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-phenyl-2-(propan-2-ylsulfanylmethyl)-1,2,4-triazole-3-thione Traditional Name: 2-[(isopropylthio)methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Formula: C13H17N3S2 MolecularWeight: 279.42418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCN1C(=S)N(C(=N1)C2=CC=CC=C2)C

Isomeric SMILES

CC(C)SCN1C(=S)N(C(=N1)C2=CC=CC=C2)C

InChI

InChI=1S/C13H17N3S2/c1-10(2)18-9-16-13(17)15(3)12(14-16)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3