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

Systemtic Name: 4-(2-methylpropyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-isobutyl-3-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-methylpropyl)-3-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-methylpropyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-isobutyl-3-phenethyl-1H-1,2,4-triazole-5-thione Formula: C14H19N3S MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NNC1=S)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CN1C(=NNC1=S)CCC2=CC=CC=C2

InChI

InChI=1S/C14H19N3S/c1-11(2)10-17-13(15-16-14(17)18)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,18)