[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C19H19N5O3S/c25-18(20-11-4-12-28-17-5-2-1-3-6-17)13-27-19(26)15-7-9-16(10-8-15)24-14-21-22-23-24/h1-3,5-10,14H,4,11-13H2,(H,20,25)