4-[5-[3-[(Z)-(2-methylsulfanyl-4-oxidanylidene-1H-imidazol-5-ylidene)methyl]indol-1-yl]pentoxy]benzenecarbonitrile

Systemtic Name: 4-[5-[3-[(Z)-(2-methylsulfanyl-4-oxidanylidene-1H-imidazol-5-ylidene)methyl]indol-1-yl]pentoxy]benzenecarbonitrile Openeye Name: 4-[5-[3-[(Z)-(2-methylsulfanyl-4-oxo-1H-imidazol-5-ylidene)methyl]indol-1-yl]pentoxy]benzonitrile CAS Name: 4-[5-[3-[(Z)-[2-(methylthio)-4-oxo-1H-imidazol-5-ylidene]methyl]-1-indolyl]pentoxy]benzonitrile IUPAC Name: 4-[5-[3-[(Z)-(2-methylsulfanyl-4-oxo-1H-imidazol-5-ylidene)methyl]indol-1-yl]pentoxy]benzonitrile Traditional Name: 4-[5-[3-[(Z)-[5-keto-2-(methylthio)-2-imidazolin-4-ylidene]methyl]indol-1-yl]pentoxy]benzonitrile Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=CC2=CN(C3=CC=CC=C32)CCCCCOC4=CC=C(C=C4)C#N)N1

Isomeric SMILES

CSC1=NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CCCCCOC4=CC=C(C=C4)C#N)/N1

InChI

InChI=1S/C25H24N4O2S/c1-32-25-27-22(24(30)28-25)15-19-17-29(23-8-4-3-7-21(19)23)13-5-2-6-14-31-20-11-9-18(16-26)10-12-20/h3-4,7-12,15,17H,2,5-6,13-14H2,1H3,(H,27,28,30)/b22-15-