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

Systemtic Name: ethyl 4-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[4-(4-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 4-[[4-(p-tolyl)-5-(3-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=C(C=C2)C)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CCCSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CN=CC=C3

InChI

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