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

Systemtic Name: 2-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)acetamide CAS Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NN=C(N2N)SCC(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC(CC1)CCC2=NN=C(N2N)SCC(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H27N5OS/c23-27-20(13-10-16-6-2-1-3-7-16)25-26-22(27)29-15-21(28)24-19-12-11-17-8-4-5-9-18(17)14-19/h4-5,8-9,11-12,14,16H,1-3,6-7,10,13,15,23H2,(H,24,28)