N-(3-cyclohexyloxypropyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-cyclohexyloxypropyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(cyclohexoxy)propyl]acetamide CAS Name: N-(3-cyclohexyloxypropyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-[3-(cyclohexoxy)propyl]acetamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NCCCOC3CCCCC3

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NCCCOC3CCCCC3

InChI

InChI=1S/C21H30N4O2S/c1-17-23-24-21(25(17)15-18-9-4-2-5-10-18)28-16-20(26)22-13-8-14-27-19-11-6-3-7-12-19/h2,4-5,9-10,19H,3,6-8,11-16H2,1H3,(H,22,26)