ethyl (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C23H22N4O2S/c1-2-29-22(28)20(15-8-4-3-5-9-15)30-23-26-25-21(27(23)16-12-13-16)18-14-24-19-11-7-6-10-17(18)19/h3-11,14,16,20,25H,2,12-13H2,1H3/t20-/m0/s1