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

Systemtic Name: N-tert-butyl-2-[4-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]acetamide Formula: C19H29N7OS MolecularWeight: 403.54486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C

InChI

InChI=1S/C19H29N7OS/c1-19(2,3)21-16(27)13-24-9-11-25(12-10-24)14-26-18(28)23(4)17(22-26)15-5-7-20-8-6-15/h5-8H,9-14H2,1-4H3,(H,21,27)