methyl 5-[[5-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[5-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[5-(3-isopropoxyphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(3-isopropoxyphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)C3=CC(=CC=C3)OC(C)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)C3=CC(=CC=C3)OC(C)C

InChI

InChI=1S/C21H25N3O4S/c1-5-11-24-19(15-7-6-8-16(12-15)27-14(2)3)22-23-21(24)29-13-17-9-10-18(28-17)20(25)26-4/h6-10,12,14H,5,11,13H2,1-4H3