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

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-(3-methylphenoxy)butanamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-(3-methylphenoxy)butanamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-(3-methylphenoxy)butanamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-(3-methylphenoxy)butanamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-(3-methylphenoxy)butyramide Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NCCCC2=NN=C(N2C3CCCC3)SC

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NCCCC2=NN=C(N2C3CCCC3)SC

InChI

InChI=1S/C22H32N4O2S/c1-17-8-5-11-19(16-17)28-15-7-13-21(27)23-14-6-12-20-24-25-22(29-2)26(20)18-9-3-4-10-18/h5,8,11,16,18H,3-4,6-7,9-10,12-15H2,1-2H3,(H,23,27)