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

Systemtic Name: 4-[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: 4-[5-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyltetrazol-1-yl]benzoate CAS Name: 4-[5-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1-tetrazolyl]benzoate IUPAC Name: 4-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate Traditional Name: 4-[5-[[2-(cyclohexylamino)-2-keto-ethyl]thio]tetrazol-1-yl]benzoate Formula: C16H18N5O3S- MolecularWeight: 360.41082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)[O-]

InChI

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