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

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

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCN(CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCN(CC3)CC(=O)NC(C)(C)C

InChI

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