(Z)-3-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (Z)-3-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (Z)-3-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (Z)-3-[3-[4-(ethylthio)phenyl]-1-phenyl-4-pyrazolyl]-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (Z)-3-[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (Z)-3-[3-[4-(ethylthio)phenyl]-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C28H23N5S MolecularWeight: 461.58072

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5

InChI

InChI=1S/C28H23N5S/c1-3-34-24-15-13-20(14-16-24)27-22(19-33(31-27)23-9-5-4-6-10-23)17-21(18-29)28-30-25-11-7-8-12-26(25)32(28)2/h4-17,19H,3H2,1-2H3/b21-17-