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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H32N6OS/c1-21(2,3)22-19(28)15-25-10-12-26(13-11-25)16-27-20(29)24(4)18(23-27)14-17-8-6-5-7-9-17/h5-9H,10-16H2,1-4H3,(H,22,28)