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

Systemtic Name: 5-tert-butyl-N-(phenylmethyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-benzyl-5-tert-butyl-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-tert-butyl-N-(phenylmethyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: N-benzyl-5-tert-butyl-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-benzyl-3-tert-butyl-4-(1,2,4-triazol-1-yl)-2-pyrazoline-1-carbothioamide Formula: C17H22N6S MolecularWeight: 342.46178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(CC1N2C=NC=N2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(CC1N2C=NC=N2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C17H22N6S/c1-17(2,3)15-14(23-12-18-11-20-23)10-22(21-15)16(24)19-9-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,19,24)