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

Systemtic Name: ethyl 2-[[4-azanyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C15H18N6O2S MolecularWeight: 346.40742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1N)CN2C(=NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1N)CN2C(=NC3=CC=CC=C32)C

InChI

InChI=1S/C15H18N6O2S/c1-3-23-14(22)9-24-15-19-18-13(21(15)16)8-20-10(2)17-11-6-4-5-7-12(11)20/h4-7H,3,8-9,16H2,1-2H3