2-[(4-oxidanyl-3-phenyl-1H-pyrazol-5-yl)-thiophen-3-yl-methyl]propanedinitrile

Systemtic Name: 2-[(4-oxidanyl-3-phenyl-1H-pyrazol-5-yl)-thiophen-3-yl-methyl]propanedinitrile Openeye Name: 2-[(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-(3-thienyl)methyl]propanedinitrile CAS Name: 2-[(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-(3-thiophenyl)methyl]propanedinitrile IUPAC Name: 2-[(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-thiophen-3-ylmethyl]propanedinitrile Traditional Name: 2-[(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-(3-thienyl)methyl]malononitrile Formula: C17H12N4OS MolecularWeight: 320.36838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2O)C(C3=CSC=C3)C(C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2O)C(C3=CSC=C3)C(C#N)C#N

InChI

InChI=1S/C17H12N4OS/c18-8-13(9-19)14(12-6-7-23-10-12)16-17(22)15(20-21-16)11-4-2-1-3-5-11/h1-7,10,13-14,22H,(H,20,21)