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

Systemtic Name: N-tert-butyl-2-[4-[[4-(4-chlorophenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[4-(4-chlorophenyl)-5-thioxo-tetrazol-1-yl]methyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[4-(4-chlorophenyl)-5-sulfanylidene-1-tetrazolyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[[4-(4-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[4-(4-chlorophenyl)-5-thioxo-tetrazol-1-yl]methyl]piperazino]acetamide Formula: C18H26ClN7OS MolecularWeight: 423.96334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN7OS/c1-18(2,3)20-16(27)12-23-8-10-24(11-9-23)13-25-17(28)26(22-21-25)15-6-4-14(19)5-7-15/h4-7H,8-13H2,1-3H3,(H,20,27)