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

Systemtic Name: 5-tert-butyl-N-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-tert-butyl-N-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-tert-butyl-N-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-tert-butyl-N-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-tert-butyl-N-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-yl)-2-pyrazoline-1-carbothioamide Formula: C16H18Cl2N6S MolecularWeight: 397.32532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18Cl2N6S/c1-16(2,3)14-13(24-9-19-8-20-24)7-23(22-14)15(25)21-12-5-4-10(17)6-11(12)18/h4-6,8-9,13H,7H2,1-3H3,(H,21,25)