N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O2S/c1-20-13-15-24(16-14-20)30-26(33)19-35-21(2)28(34)29-17-23-18-32(25-11-7-4-8-12-25)31-27(23)22-9-5-3-6-10-22/h3-16,18,21H,17,19H2,1-2H3,(H,29,34)(H,30,33)