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

Systemtic Name: 4-[5-[3-[(Z)-(1-methyl-2-methylsulfanyl-5-oxidanylidene-imidazol-4-ylidene)methyl]indol-1-yl]pentoxy]benzenecarbonitrile Openeye Name: 4-[5-[3-[(Z)-(1-methyl-2-methylsulfanyl-5-oxo-imidazol-4-ylidene)methyl]indol-1-yl]pentoxy]benzonitrile CAS Name: 4-[5-[3-[(Z)-[1-methyl-2-(methylthio)-5-oxo-4-imidazolylidene]methyl]-1-indolyl]pentoxy]benzonitrile IUPAC Name: 4-[5-[3-[(Z)-(1-methyl-2-methylsulfanyl-5-oxoimidazol-4-ylidene)methyl]indol-1-yl]pentoxy]benzonitrile Traditional Name: 4-[5-[3-[(Z)-[5-keto-1-methyl-2-(methylthio)-2-imidazolin-4-ylidene]methyl]indol-1-yl]pentoxy]benzonitrile Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CCCCCOC4=CC=C(C=C4)C#N)N=C1SC

Isomeric SMILES

CN1C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CCCCCOC4=CC=C(C=C4)C#N)/N=C1SC

InChI

InChI=1S/C26H26N4O2S/c1-29-25(31)23(28-26(29)33-2)16-20-18-30(24-9-5-4-8-22(20)24)14-6-3-7-15-32-21-12-10-19(17-27)11-13-21/h4-5,8-13,16,18H,3,6-7,14-15H2,1-2H3/b23-16-