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

Systemtic Name: methyl 4-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-[5-(2-anilino-2-oxo-ethyl)sulfanyltetrazol-1-yl]benzoate CAS Name: 4-[5-[(2-anilino-2-oxoethyl)thio]-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate Traditional Name: 4-[5-[(2-anilino-2-keto-ethyl)thio]tetrazol-1-yl]benzoic acid methyl ester Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H15N5O3S/c1-25-16(24)12-7-9-14(10-8-12)22-17(19-20-21-22)26-11-15(23)18-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,23)