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

Systemtic Name: propyl 4-[5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: propyl 4-[5-(2-morpholino-2-oxo-ethyl)sulfanyltetrazol-1-yl]benzoate CAS Name: 4-[5-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1-tetrazolyl]benzoic acid propyl ester IUPAC Name: propyl 4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate Traditional Name: 4-[5-[(2-keto-2-morpholino-ethyl)thio]tetrazol-1-yl]benzoic acid propyl ester Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCOCC3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCOCC3

InChI

InChI=1S/C17H21N5O4S/c1-2-9-26-16(24)13-3-5-14(6-4-13)22-17(18-19-20-22)27-12-15(23)21-7-10-25-11-8-21/h3-6H,2,7-12H2,1H3