propyl 4-[2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-cyclopropyltetrazol-5-yl)thio]acetyl]amino]benzoic acid propyl ester Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3CC3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3CC3

InChI

InChI=1S/C16H19N5O3S/c1-2-9-24-15(23)11-3-5-12(6-4-11)17-14(22)10-25-16-18-19-20-21(16)13-7-8-13/h3-6,13H,2,7-10H2,1H3,(H,17,22)