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

Systemtic Name: 5-tert-butyl-N-naphthalen-1-yl-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-tert-butyl-N-(1-naphthyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-tert-butyl-N-(1-naphthalenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-tert-butyl-N-naphthalen-1-yl-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-tert-butyl-N-(1-naphthyl)-4-(1,2,4-triazol-1-yl)-2-pyrazoline-1-carbothioamide Formula: C20H22N6S MolecularWeight: 378.49388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(CC1N2C=NC=N2)C(=S)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=NN(CC1N2C=NC=N2)C(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C20H22N6S/c1-20(2,3)18-17(26-13-21-12-22-26)11-25(24-18)19(27)23-16-10-6-8-14-7-4-5-9-15(14)16/h4-10,12-13,17H,11H2,1-3H3,(H,23,27)