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

Systemtic Name: ethyl 2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN3O3S/c1-3-26-17(24)12-27-19-22-21-18(13-4-6-14(20)7-5-13)23(19)15-8-10-16(25-2)11-9-15/h4-11H,3,12H2,1-2H3