(2Z)-2-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Systemtic Name: (2Z)-2-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one Openeye Name: (2Z)-2-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylene]thiazolo[3,2-a]benzimidazol-1-one CAS Name: (2Z)-2-[[3-[4-(butylthio)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-1-thiazolo[3,2-a]benzimidazolone IUPAC Name: (2Z)-2-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one Traditional Name: (2Z)-2-[[3-[4-(butylthio)phenyl]-1-phenyl-pyrazol-4-yl]methylene]thiazolo[3,2-a]benzimidazol-1-one Formula: C29H24N4OS2 MolecularWeight: 508.65706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C5=CC=CC=C5N=C4S3)C6=CC=CC=C6

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N4C5=CC=CC=C5N=C4S3)C6=CC=CC=C6

InChI

InChI=1S/C29H24N4OS2/c1-2-3-17-35-23-15-13-20(14-16-23)27-21(19-32(31-27)22-9-5-4-6-10-22)18-26-28(34)33-25-12-8-7-11-24(25)30-29(33)36-26/h4-16,18-19H,2-3,17H2,1H3/b26-18-