N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(4-isopropylphenyl)prop-2-enamide CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-3-p-cumenyl-acrylamide Formula: C22H24N4OS MolecularWeight: 392.51716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C=CC2=CC=C(C=C2)C(C)C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)C=CC2=CC=C(C=C2)C(C)C)SCC3=CC=CC=C3

InChI

InChI=1S/C22H24N4OS/c1-16(2)20-12-9-18(10-13-20)11-14-21(27)25-26-17(3)23-24-22(26)28-15-19-7-5-4-6-8-19/h4-14,16H,15H2,1-3H3,(H,25,27)