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

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]furan-2-carboxamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)furan-2-carboxamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-2-furancarboxamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)furan-2-carboxamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-2-furamide Formula: C16H12N4O2S MolecularWeight: 324.35708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)C3=CC=CO3

InChI

InChI=1S/C16H12N4O2S/c17-9-12-14(18-15(21)13-7-4-8-22-13)19-20-16(12)23-10-11-5-2-1-3-6-11/h1-8H,10H2,(H2,18,19,20,21)