4-(4-methylphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-methylphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-phenethyl-4-(p-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-methylphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-methylphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-phenethyl-4-(p-tolyl)-1H-1,2,4-triazole-5-thione Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)CCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3S/c1-13-7-10-15(11-8-13)20-16(18-19-17(20)21)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3,(H,19,21)