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

Systemtic Name: ethyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H23N5O3S/c1-3-30-21(28)14-31-22-26-25-20(27(22)15-8-10-16(29-2)11-9-15)13-12-19-23-17-6-4-5-7-18(17)24-19/h4-11H,3,12-14H2,1-2H3,(H,23,24)