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

Systemtic Name: methyl 2-[[4-azanyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-amino-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[(2-methyl-1-benzimidazolyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-amino-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C14H16N6O2S MolecularWeight: 332.38084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC3=NN=C(N3N)SCC(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC3=NN=C(N3N)SCC(=O)OC

InChI

InChI=1S/C14H16N6O2S/c1-9-16-10-5-3-4-6-11(10)19(9)7-12-17-18-14(20(12)15)23-8-13(21)22-2/h3-6H,7-8,15H2,1-2H3