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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN(C2=S)CN3CCN(CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C=NN(C2=S)CN3CCN(CC3)CC(=O)NC(C)(C)C

InChI

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