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

Systemtic Name: ethyl 2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(1-benzimidazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C)CN2C=NC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C)CN2C=NC3=CC=CC=C32

InChI

InChI=1S/C15H17N5O2S/c1-3-22-14(21)9-23-15-18-17-13(19(15)2)8-20-10-16-11-6-4-5-7-12(11)20/h4-7,10H,3,8-9H2,1-2H3