propyl 4-[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: propyl 4-[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: propyl 4-[5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyltetrazol-1-yl]benzoate CAS Name: 4-[5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1-tetrazolyl]benzoic acid propyl ester IUPAC Name: propyl 4-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]benzoate Traditional Name: 4-[5-[(2-keto-2-piperidino-ethyl)thio]tetrazol-1-yl]benzoic acid propyl ester Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCCCC3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCCCC3

InChI

InChI=1S/C18H23N5O3S/c1-2-12-26-17(25)14-6-8-15(9-7-14)23-18(19-20-21-23)27-13-16(24)22-10-4-3-5-11-22/h6-9H,2-5,10-13H2,1H3