ethyl 1-[[4-(4-methoxyphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[4-(4-methoxyphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[4-(4-methoxyphenyl)-5-thioxo-tetrazol-1-yl]methyl]piperidine-3-carboxylate CAS Name: 1-[[4-(4-methoxyphenyl)-5-sulfanylidene-1-tetrazolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]piperidine-3-carboxylate Traditional Name: 1-[[4-(4-methoxyphenyl)-5-thioxo-tetrazol-1-yl]methyl]nipecotic acid ethyl ester Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C(=S)N(N=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CN2C(=S)N(N=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H23N5O3S/c1-3-25-16(23)13-5-4-10-20(11-13)12-21-17(26)22(19-18-21)14-6-8-15(24-2)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3