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

Systemtic Name: 4-(2,4-dimethylphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,4-dimethylphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,4-dimethylphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,4-dimethylphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,4-dimethylphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Formula: C18H19N3S MolecularWeight: 309.42856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3S/c1-13-8-10-16(14(2)12-13)21-17(19-20-18(21)22)11-9-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,20,22)