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

Systemtic Name: (E)-N-[2-(phenylmethylsulfanyl)ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(2-benzylsulfanylethyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[2-(phenylmethylthio)ethyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(2-benzylsulfanylethyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[2-(benzylthio)ethyl]-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c25-21(22-13-14-26-17-18-7-3-1-4-8-18)12-11-19-15-23-24(16-19)20-9-5-2-6-10-20/h1-12,15-16H,13-14,17H2,(H,22,25)/b12-11+