N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-3-(furan-2-yl)prop-2-enamide

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-3-(furan-2-yl)prop-2-enamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-3-(2-furyl)prop-2-enamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-3-(2-furanyl)-2-propenamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-3-(furan-2-yl)prop-2-enamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-3-(2-furyl)acrylamide Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)C=CC3=CC=CO3

InChI

InChI=1S/C18H14N4O2S/c19-11-15-17(20-16(23)9-8-14-7-4-10-24-14)21-22-18(15)25-12-13-5-2-1-3-6-13/h1-10H,12H2,(H2,20,21,22,23)