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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-isopentyloxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-isoamoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C30H26N4OS MolecularWeight: 490.61864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C30H26N4OS/c1-21(2)16-17-35-26-14-12-22(13-15-26)29-24(20-34(33-29)25-8-4-3-5-9-25)18-23(19-31)30-32-27-10-6-7-11-28(27)36-30/h3-15,18,20-21H,16-17H2,1-2H3/b23-18+