2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C20H17N4O2S- MolecularWeight: 377.43958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)[O-])C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)[O-])C

InChI

InChI=1S/C20H18N4O2S/c1-12-13(2)21-17-9-8-14(10-16(12)17)19-22-23-20(27-11-18(25)26)24(19)15-6-4-3-5-7-15/h3-10,21H,11H2,1-2H3,(H,25,26)/p-1