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

Systemtic Name: 4-[5-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: 4-[5-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyltetrazol-1-yl]benzoate CAS Name: 4-[5-[[2-(cyclopropylamino)-2-oxoethyl]thio]-1-tetrazolyl]benzoate IUPAC Name: 4-[5-[2-(cyclopropylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate Traditional Name: 4-[5-[[2-(cyclopropylamino)-2-keto-ethyl]thio]tetrazol-1-yl]benzoate Formula: C13H12N5O3S- MolecularWeight: 318.33108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CC1NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C13H13N5O3S/c19-11(14-9-3-4-9)7-22-13-15-16-17-18(13)10-5-1-8(2-6-10)12(20)21/h1-2,5-6,9H,3-4,7H2,(H,14,19)(H,20,21)/p-1