(E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]acrylonitrile Formula: C22H15N5S MolecularWeight: 381.453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15N5S/c23-11-6-12-27-15-18(21(26-27)16-7-2-1-3-8-16)13-17(14-24)22-25-19-9-4-5-10-20(19)28-22/h1-5,7-10,13,15H,6,12H2/b17-13+