3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propanenitrile CAS Name: 3-[2-(2-phenoxyethylthio)-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-(2-phenoxyethylthio)benzimidazol-1-yl]propionitrile Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

C1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C18H17N3OS/c19-11-6-12-21-17-10-5-4-9-16(17)20-18(21)23-14-13-22-15-7-2-1-3-8-15/h1-5,7-10H,6,12-14H2