2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-[3-(1-pyrazolylmethyl)phenyl]propanamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-[3-(pyrazol-1-ylmethyl)phenyl]propionamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=CC=CC(=C2)CN3C=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=CC=CC(=C2)CN3C=CC=N3

InChI

InChI=1S/C22H24N4O2S/c1-16-7-9-19(10-8-16)24-21(27)15-29-17(2)22(28)25-20-6-3-5-18(13-20)14-26-12-4-11-23-26/h3-13,17H,14-15H2,1-2H3,(H,24,27)(H,25,28)