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

Systemtic Name: (Z)-2-(1-methylbenzimidazol-2-yl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (Z)-2-(1-methylbenzimidazol-2-yl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (Z)-2-(1-methyl-2-benzimidazolyl)-3-[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]-2-propenenitrile IUPAC Name: (Z)-2-(1-methylbenzimidazol-2-yl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile Traditional Name: (Z)-2-(1-methylbenzimidazol-2-yl)-3-[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]acrylonitrile Formula: C29H25N5S MolecularWeight: 475.6073

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5

InChI

InChI=1S/C29H25N5S/c1-3-17-35-25-15-13-21(14-16-25)28-23(20-34(32-28)24-9-5-4-6-10-24)18-22(19-30)29-31-26-11-7-8-12-27(26)33(29)2/h4-16,18,20H,3,17H2,1-2H3/b22-18-