methyl 4-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylcarbamoyl]benzoate

Systemtic Name: methyl 4-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylcarbamoyl]benzoate Openeye Name: methyl 4-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylcarbamoyl]benzoate CAS Name: 4-[[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylcarbamoyl]benzoate Traditional Name: 4-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylcarbamoyl]benzoic acid methyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCCC2=NN=C(N2C3CCCC3)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCCC2=NN=C(N2C3CCCC3)SC

InChI

InChI=1S/C20H26N4O3S/c1-27-19(26)15-11-9-14(10-12-15)18(25)21-13-5-8-17-22-23-20(28-2)24(17)16-6-3-4-7-16/h9-12,16H,3-8,13H2,1-2H3,(H,21,25)