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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6S/c1-17(2,3)15-14(23-12-18-11-19-23)10-22(20-15)16(24)21(4)13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3