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

Systemtic Name: N-tert-butyl-2-[4-[[4-methyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[4-methyl-3-(2-thienylmethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[4-methyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[[4-methyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[4-methyl-3-(2-thenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]acetamide Formula: C19H30N6OS2 MolecularWeight: 422.6111

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)CN2C(=S)N(C(=N2)CC3=CC=CS3)C

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)CN2C(=S)N(C(=N2)CC3=CC=CS3)C

InChI

InChI=1S/C19H30N6OS2/c1-19(2,3)20-17(26)13-23-7-9-24(10-8-23)14-25-18(27)22(4)16(21-25)12-15-6-5-11-28-15/h5-6,11H,7-10,12-14H2,1-4H3,(H,20,26)