N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]propanamide

Systemtic Name: N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]propanamide Openeye Name: N-[[4-allyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]propanamide CAS Name: N-[[5-[(3-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]propanamide IUPAC Name: N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]propanamide Traditional Name: N-[[4-allyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]propionamide Formula: C17H22N4OS MolecularWeight: 330.44778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC1=NN=C(N1CC=C)SCC2=CC=CC(=C2)C

Isomeric SMILES

CCC(=O)NCC1=NN=C(N1CC=C)SCC2=CC=CC(=C2)C

InChI

InChI=1S/C17H22N4OS/c1-4-9-21-15(11-18-16(22)5-2)19-20-17(21)23-12-14-8-6-7-13(3)10-14/h4,6-8,10H,1,5,9,11-12H2,2-3H3,(H,18,22)