4-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C25H18ClN5OS MolecularWeight: 471.96132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

InChI

InChI=1S/C25H18ClN5OS/c26-17-10-11-22-21(12-17)30-25(31(22)14-16-6-2-1-3-7-16)33-15-23(32)18(13-27)24-28-19-8-4-5-9-20(19)29-24/h1-12,28-29H,14-15H2