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

Systemtic Name: N-tert-butyl-2-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazino]acetamide Formula: C19H28N6OS MolecularWeight: 388.53022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N6OS/c1-19(2,3)21-16(26)13-23-9-11-24(12-10-23)14-25-18(27)20-17(22-25)15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,21,26)(H,20,22,27)