3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1)C2=NNC(=S)N2C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC(=NN1)C2=NNC(=S)N2C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H19N5OS/c1-16(2,3)13-9-12(17-18-13)14-19-20-15(23)21(14)10-5-7-11(22-4)8-6-10/h5-9H,1-4H3,(H,17,18)(H,20,23)