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

Systemtic Name: butyl 4-[2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-cyclopropyltetrazol-5-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3S/c1-2-3-10-25-16(24)12-4-6-13(7-5-12)18-15(23)11-26-17-19-20-21-22(17)14-8-9-14/h4-7,14H,2-3,8-11H2,1H3,(H,18,23)