(E)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-methyl-N-[[4-(methylthio)phenyl]methyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-methyl-N-[4-(methylthio)benzyl]-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3OS/c1-23(15-17-8-11-20(26-2)12-9-17)21(25)13-10-18-14-22-24(16-18)19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3/b13-10+