3-tert-butyl-4-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-tert-butyl-4-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-tert-butyl-4-[(Z)-(1,3-diphenylpyrazol-4-yl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-tert-butyl-4-[(Z)-(1,3-diphenyl-4-pyrazolyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-tert-butyl-4-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-tert-butyl-4-[(Z)-(1,3-diphenylpyrazol-4-yl)methyleneamino]-1H-1,2,4-triazole-5-thione Formula: C22H22N6S MolecularWeight: 402.51528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=S)N1N=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NNC(=S)N1/N=C\C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6S/c1-22(2,3)20-24-25-21(29)28(20)23-14-17-15-27(18-12-8-5-9-13-18)26-19(17)16-10-6-4-7-11-16/h4-15H,1-3H3,(H,25,29)/b23-14-