ethyl 4-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanoate

Systemtic Name: ethyl 4-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 4-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2C)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2C)C3=CC=NC=C3

InChI

InChI=1S/C20H22N4O2S/c1-3-26-18(25)9-6-14-27-20-23-22-19(16-10-12-21-13-11-16)24(20)17-8-5-4-7-15(17)2/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3