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

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[[2-keto-2-(m-toluidino)ethyl]thio]acetamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O2S/c1-20-9-8-12-23(15-20)29-26(33)19-34-18-25(32)28-16-22-17-31(24-13-6-3-7-14-24)30-27(22)21-10-4-2-5-11-21/h2-15,17H,16,18-19H2,1H3,(H,28,32)(H,29,33)