N-[[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide

Systemtic Name: N-[[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[5-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[5-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[5-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C21H29N5O2S MolecularWeight: 415.55226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H29N5O2S/c1-3-26-18(13-22-20(28)16-9-7-8-15(2)12-16)24-25-21(26)29-14-19(27)23-17-10-5-4-6-11-17/h7-9,12,17H,3-6,10-11,13-14H2,1-2H3,(H,22,28)(H,23,27)