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

Systemtic Name: 4-[2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(1-cyclohexyltetrazol-5-yl)thio]acetyl]amino]benzoic acid Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H19N5O3S/c22-14(17-12-8-6-11(7-9-12)15(23)24)10-25-16-18-19-20-21(16)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,17,22)(H,23,24)