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

Systemtic Name: N-tert-butyl-2-[4-[[3-methyl-4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[3-methyl-4-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[3-methyl-4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[[3-methyl-4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[3-methyl-4-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]acetamide Formula: C21H32N6OS MolecularWeight: 416.58338

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H32N6OS/c1-16-8-6-7-9-18(16)27-17(2)23-26(20(27)29)15-25-12-10-24(11-13-25)14-19(28)22-21(3,4)5/h6-9H,10-15H2,1-5H3,(H,22,28)