1-[[4-(2,3-dimethylphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[[4-(2,3-dimethylphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[[4-(2,3-dimethylphenyl)-5-thioxo-tetrazol-1-yl]methyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[[4-(2,3-dimethylphenyl)-5-sulfanylidene-1-tetrazolyl]methyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[[4-(2,3-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[[4-(2,3-dimethylphenyl)-5-thioxo-tetrazol-1-yl]methyl]-N-phenyl-isonipecotamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=S)N(N=N2)CN3CCC(CC3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=S)N(N=N2)CN3CCC(CC3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C22H26N6OS/c1-16-7-6-10-20(17(16)2)28-22(30)27(24-25-28)15-26-13-11-18(12-14-26)21(29)23-19-8-4-3-5-9-19/h3-10,18H,11-15H2,1-2H3,(H,23,29)