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

Systemtic Name: 3-tert-butyl-4-[(Z)-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-tert-butyl-4-[(Z)-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-tert-butyl-4-[(Z)-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-tert-butyl-4-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-tert-butyl-4-[(Z)-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methyleneamino]-1H-1,2,4-triazole-5-thione Formula: C21H21N7S MolecularWeight: 403.50334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7S/c1-21(2,3)19-24-25-20(29)28(19)23-13-16-14-27(17-7-5-4-6-8-17)26-18(16)15-9-11-22-12-10-15/h4-14H,1-3H3,(H,25,29)/b23-13-