3-(2-phenacylsulfanylbenzimidazol-1-yl)propanenitrile

Systemtic Name: 3-(2-phenacylsulfanylbenzimidazol-1-yl)propanenitrile Openeye Name: 3-(2-phenacylsulfanylbenzimidazol-1-yl)propanenitrile CAS Name: 3-[2-(phenacylthio)-1-benzimidazolyl]propanenitrile IUPAC Name: 3-(2-phenacylsulfanylbenzimidazol-1-yl)propanenitrile Traditional Name: 3-[2-(phenacylthio)benzimidazol-1-yl]propionitrile Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C18H15N3OS/c19-11-6-12-21-16-10-5-4-9-15(16)20-18(21)23-13-17(22)14-7-2-1-3-8-14/h1-5,7-10H,6,12-13H2