N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-methylsulfonyl-benzamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-methylsulfonyl-benzamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-methylsulfonylbenzamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-methylsulfonylbenzamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-mesyl-benzamide Formula: C19H26N4O3S2 MolecularWeight: 422.56474

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H26N4O3S2/c1-27-19-22-21-17(23(19)15-6-3-4-7-15)8-5-13-20-18(24)14-9-11-16(12-10-14)28(2,25)26/h9-12,15H,3-8,13H2,1-2H3,(H,20,24)