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

Systemtic Name: ethyl 4-[[4-(3-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[4-(m-tolyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[4-(3-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 4-[[4-(m-tolyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NN=C(N1C2=CC=CC(=C2)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CCCSC1=NN=C(N1C2=CC=CC(=C2)C)C3=CC=CS3

InChI

InChI=1S/C19H21N3O2S2/c1-3-24-17(23)10-6-12-26-19-21-20-18(16-9-5-11-25-16)22(19)15-8-4-7-14(2)13-15/h4-5,7-9,11,13H,3,6,10,12H2,1-2H3