5-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[5-(2-amino-2-oxo-ethyl)sulfanyltetrazol-1-yl]-2-chloro-benzoic acid CAS Name: 5-[5-[(2-amino-2-oxoethyl)thio]-1-tetrazolyl]-2-chlorobenzoic acid IUPAC Name: 5-[5-(2-amino-2-oxoethyl)sulfanyltetrazol-1-yl]-2-chlorobenzoic acid Traditional Name: 5-[5-[(2-amino-2-keto-ethyl)thio]tetrazol-1-yl]-2-chloro-benzoic acid Formula: C10H8ClN5O3S MolecularWeight: 313.72022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=NN=N2)SCC(=O)N)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1N2C(=NN=N2)SCC(=O)N)C(=O)O)Cl

InChI

InChI=1S/C10H8ClN5O3S/c11-7-2-1-5(3-6(7)9(18)19)16-10(13-14-15-16)20-4-8(12)17/h1-3H,4H2,(H2,12,17)(H,18,19)