3-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C21H16N4S MolecularWeight: 356.44354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC3=NC4=CC=CC=C4S3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/C3=NC4=CC=CC=C4S3)CCC#N

InChI

InChI=1S/C21H16N4S/c22-13-6-14-25-15-17(21(24-25)16-7-2-1-3-8-16)11-12-20-23-18-9-4-5-10-19(18)26-20/h1-5,7-12,15H,6,14H2/b12-11+