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

Systemtic Name: 3-[4-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[2,2-bis(1,3-benzothiazol-2-yl)vinyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[2,2-bis(1,3-benzothiazol-2-yl)vinyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C28H19N5S2 MolecularWeight: 489.61396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(C3=NC4=CC=CC=C4S3)C5=NC6=CC=CC=C6S5)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C=C(C3=NC4=CC=CC=C4S3)C5=NC6=CC=CC=C6S5)CCC#N

InChI

InChI=1S/C28H19N5S2/c29-15-8-16-33-18-20(26(32-33)19-9-2-1-3-10-19)17-21(27-30-22-11-4-6-13-24(22)34-27)28-31-23-12-5-7-14-25(23)35-28/h1-7,9-14,17-18H,8,16H2