N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,4-dimethylphenyl)methyl]-N-methyl-acetamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2,4-dimethylbenzyl)-N-methyl-acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C

InChI

InChI=1S/C22H25N5OS/c1-5-12-27-21(18-8-10-23-11-9-18)24-25-22(27)29-15-20(28)26(4)14-19-7-6-16(2)13-17(19)3/h5-11,13H,1,12,14-15H2,2-4H3