5-tert-butyl-N-phenyl-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-tert-butyl-N-phenyl-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-tert-butyl-N-phenyl-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-tert-butyl-N-phenyl-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-tert-butyl-N-phenyl-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-tert-butyl-N-phenyl-4-(1,2,4-triazol-1-yl)-2-pyrazoline-1-carbothioamide Formula: C16H20N6S MolecularWeight: 328.4352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(CC1N2C=NC=N2)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(CC1N2C=NC=N2)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C16H20N6S/c1-16(2,3)14-13(22-11-17-10-18-22)9-21(20-14)15(23)19-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,19,23)