1-[[3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-pyridin-2-yl-piperidine-3-carboxamide

Systemtic Name: 1-[[3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-pyridin-2-yl-piperidine-3-carboxamide Openeye Name: 1-[[3-(4-tert-butylphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N-(2-pyridyl)piperidine-3-carboxamide CAS Name: 1-[[3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-(2-pyridinyl)-3-piperidinecarboxamide IUPAC Name: 1-[[3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-pyridin-2-ylpiperidine-3-carboxamide Traditional Name: 1-[[3-(4-tert-butylphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N-(2-pyridyl)nipecotamide Formula: C25H32N6OS MolecularWeight: 464.62618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)CN3CCCC(C3)C(=O)NC4=CC=CC=N4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)CN3CCCC(C3)C(=O)NC4=CC=CC=N4

InChI

InChI=1S/C25H32N6OS/c1-25(2,3)20-12-10-18(11-13-20)22-28-31(24(33)29(22)4)17-30-15-7-8-19(16-30)23(32)27-21-9-5-6-14-26-21/h5-6,9-14,19H,7-8,15-17H2,1-4H3,(H,26,27,32)