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

Systemtic Name: ethyl 4-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 4-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-3-27-19(25)10-7-15-28-21-23-22-20(16-11-13-18(26-2)14-12-16)24(21)17-8-5-4-6-9-17/h4-6,8-9,11-14H,3,7,10,15H2,1-2H3