ethyl 5-[2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[2-[(1-cyclopropyltetrazol-5-yl)thio]acetyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C18H19N7O3S MolecularWeight: 413.45356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C4CC4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C4CC4

InChI

InChI=1S/C18H19N7O3S/c1-2-28-17(27)14-10-19-24(12-6-4-3-5-7-12)16(14)20-15(26)11-29-18-21-22-23-25(18)13-8-9-13/h3-7,10,13H,2,8-9,11H2,1H3,(H,20,26)