ethyl 2-[[5-[(2-methylbenzimidazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(2-methylbenzimidazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(2-methylbenzimidazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-methyl-1-benzimidazolyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(2-methylbenzimidazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-methylbenzimidazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3C(=NC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3C(=NC4=CC=CC=C43)C

InChI

InChI=1S/C21H21N5O2S/c1-3-28-20(27)14-29-21-24-23-19(26(21)16-9-5-4-6-10-16)13-25-15(2)22-17-11-7-8-12-18(17)25/h4-12H,3,13-14H2,1-2H3