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

Systemtic Name: 2-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-methyl-acetamide CAS Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-methylacetamide Traditional Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-N-methyl-acetamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2N)CCC3CCCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2N)CCC3CCCCC3

InChI

InChI=1S/C20H29N5OS/c1-24(14-17-10-6-3-7-11-17)19(26)15-27-20-23-22-18(25(20)21)13-12-16-8-4-2-5-9-16/h3,6-7,10-11,16H,2,4-5,8-9,12-15,21H2,1H3