ethyl (2S)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=C(N2C3CC3)CC4=CC=CS4

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(N2C3CC3)CC4=CC=CS4

InChI

InChI=1S/C20H21N3O2S2/c1-2-25-19(24)18(14-7-4-3-5-8-14)27-20-22-21-17(23(20)15-10-11-15)13-16-9-6-12-26-16/h3-9,12,15,18H,2,10-11,13H2,1H3/t18-/m0/s1