3-[4-ethyl-5-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-5-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-5-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-5-[[2-(4-methylanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-5-[[2-keto-2-(p-toluidino)ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C16H21N5O2S MolecularWeight: 347.43524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C)CCC(=O)N

InChI

InChI=1S/C16H21N5O2S/c1-3-21-14(9-8-13(17)22)19-20-16(21)24-10-15(23)18-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H2,17,22)(H,18,23)