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

Systemtic Name: 2-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]ethanoate Openeye Name: 2-[5-(2-anilino-2-oxo-ethyl)sulfanyltetrazol-1-yl]acetate CAS Name: 2-[5-[(2-anilino-2-oxoethyl)thio]-1-tetrazolyl]acetate IUPAC Name: 2-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]acetate Traditional Name: 2-[5-[(2-anilino-2-keto-ethyl)thio]tetrazol-1-yl]acetate Formula: C11H10N5O3S- MolecularWeight: 292.2938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2CC(=O)[O-]

InChI

InChI=1S/C11H11N5O3S/c17-9(12-8-4-2-1-3-5-8)7-20-11-13-14-15-16(11)6-10(18)19/h1-5H,6-7H2,(H,12,17)(H,18,19)/p-1