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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCCOC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCCOC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

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