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

Systemtic Name: 1-[[3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-methyl-piperidine-2-carboxamide Openeye Name: 1-[[3-(4-tert-butylphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N-methyl-piperidine-2-carboxamide CAS Name: 1-[[3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-methyl-2-piperidinecarboxamide IUPAC Name: 1-[[3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-methylpiperidine-2-carboxamide Traditional Name: 1-[[3-(4-tert-butylphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N-methyl-pipecolinamide Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)CN3CCCCC3C(=O)NC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)CN3CCCCC3C(=O)NC

InChI

InChI=1S/C21H31N5OS/c1-21(2,3)16-11-9-15(10-12-16)18-23-26(20(28)24(18)5)14-25-13-7-6-8-17(25)19(27)22-4/h9-12,17H,6-8,13-14H2,1-5H3,(H,22,27)