3-[[2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: 3-[[2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: 3-[[[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 3-[[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]methyl]benzoate IUPAC Name: 3-[[[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 3-[[[2-[(1-cyclohexyltetrazol-5-yl)thio]acetyl]amino]methyl]benzoate Formula: C17H20N5O3S- MolecularWeight: 374.4374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SCC(=O)NCC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SCC(=O)NCC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C17H21N5O3S/c23-15(18-10-12-5-4-6-13(9-12)16(24)25)11-26-17-19-20-21-22(17)14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11H2,(H,18,23)(H,24,25)/p-1