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

Systemtic Name: 3-(4-methoxyphenyl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-isobutyl-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-methoxyphenyl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-methoxyphenyl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-isobutyl-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3OS/c1-9(2)8-16-12(14-15-13(16)18)10-4-6-11(17-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,15,18)