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

Systemtic Name: 5-tert-butyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-tert-butyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-tert-butyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-tert-butyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-tert-butyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-2-pyrazoline-1-carbothioamide Formula: C17H22N6OS MolecularWeight: 358.46118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6OS/c1-17(2,3)15-14(23-11-18-10-19-23)9-22(21-15)16(25)20-12-5-7-13(24-4)8-6-12/h5-8,10-11,14H,9H2,1-4H3,(H,20,25)