2-[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]thiophen-3-yl]oxane-4-carbonitrile

Systemtic Name: 2-[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]thiophen-3-yl]oxane-4-carbonitrile Openeye Name: 2-[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-thienyl]tetrahydropyran-4-carbonitrile CAS Name: 2-[4-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-3-thiophenyl]-4-oxanecarbonitrile IUPAC Name: 2-[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]thiophen-3-yl]oxane-4-carbonitrile Traditional Name: 2-[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-thienyl]tetrahydropyran-4-carbonitrile Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C3=CSC=C3C4CC(CCO4)C#N)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C3=CSC=C3C4CC(CCO4)C#N)C

InChI

InChI=1S/C21H21N3OS/c1-14-9-15(2)24(23-14)18-5-3-17(4-6-18)19-12-26-13-20(19)21-10-16(11-22)7-8-25-21/h3-6,9,12-13,16,21H,7-8,10H2,1-2H3