(E)-N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=CC(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/C(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C20H18N4O2S/c21-19(25)14-27-18-9-5-4-8-17(18)23-20(26)11-10-15-12-22-24(13-15)16-6-2-1-3-7-16/h1-13H,14H2,(H2,21,25)(H,23,26)/b11-10+