N-tert-butyl-2-[4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazino]acetamide Formula: C20H30N6OS MolecularWeight: 402.5568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C20H30N6OS/c1-15-5-7-16(8-6-15)18-21-19(28)26(23-18)14-25-11-9-24(10-12-25)13-17(27)22-20(2,3)4/h5-8H,9-14H2,1-4H3,(H,22,27)(H,21,23,28)