2-[(R)-(3-oxidanylidene-5-phenyl-1,2-dihydropyrazol-4-yl)-thiophen-3-yl-methyl]propanedinitrile

Systemtic Name: 2-[(R)-(3-oxidanylidene-5-phenyl-1,2-dihydropyrazol-4-yl)-thiophen-3-yl-methyl]propanedinitrile Openeye Name: 2-[(R)-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-(3-thienyl)methyl]propanedinitrile CAS Name: 2-[(R)-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-(3-thiophenyl)methyl]propanedinitrile IUPAC Name: 2-[(R)-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-thiophen-3-ylmethyl]propanedinitrile Traditional Name: 2-[(R)-(3-keto-5-phenyl-3-pyrazolin-4-yl)-(3-thienyl)methyl]malononitrile Formula: C17H12N4OS MolecularWeight: 320.36838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NN2)C(C3=CSC=C3)C(C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NN2)[C@H](C3=CSC=C3)C(C#N)C#N

InChI

InChI=1S/C17H12N4OS/c18-8-13(9-19)14(12-6-7-23-10-12)15-16(20-21-17(15)22)11-4-2-1-3-5-11/h1-7,10,13-14H,(H2,20,21,22)/t14-/m1/s1