3-(4-methylphenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: 3-(4-methylphenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: N-methylsulfonyl-3-(p-tolylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: 3-[(4-methylphenyl)thio]-N-methylsulfonyl-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: 3-(4-methylphenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: N-mesyl-3-(p-tolylthio)-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C17H23N3O3S2 MolecularWeight: 381.51282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(C2=C(N(N=C2C)C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(C2=C(N(N=C2C)C)C)S(=O)(=O)C

InChI

InChI=1S/C17H23N3O3S2/c1-12-6-8-15(9-7-12)24-11-10-16(21)20(25(5,22)23)17-13(2)18-19(4)14(17)3/h6-9H,10-11H2,1-5H3