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

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-2-oxo-chromene-3-carboxamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-2-keto-chromene-3-carboxamide Formula: C21H14N4O3S MolecularWeight: 402.42586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H14N4O3S/c22-11-16-18(24-25-20(16)29-12-13-6-2-1-3-7-13)23-19(26)15-10-14-8-4-5-9-17(14)28-21(15)27/h1-10H,12H2,(H2,23,24,25,26)