N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(1-o-phenetyltetrazol-5-yl)thio]acetamide Formula: C17H20N6O2S MolecularWeight: 372.4447

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C17H20N6O2S/c1-3-25-14-7-5-4-6-13(14)23-16(20-21-22-23)26-10-15(24)19-17(2,11-18)12-8-9-12/h4-7,12H,3,8-10H2,1-2H3,(H,19,24)/t17-/m1/s1