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

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-16-6-5-7-18(10-16)24-21(27)15-28-14-20(26)22-11-17-12-23-25(13-17)19-8-3-2-4-9-19/h2-10,12-13H,11,14-15H2,1H3,(H,22,26)(H,24,27)