2-(oxan-2-ylmethylsulfanyl)-1-phenethyl-benzimidazole

Systemtic Name: 2-(oxan-2-ylmethylsulfanyl)-1-phenethyl-benzimidazole Openeye Name: 1-phenethyl-2-(tetrahydropyran-2-ylmethylsulfanyl)benzimidazole CAS Name: 2-(2-oxanylmethylthio)-1-phenethylbenzimidazole IUPAC Name: 2-(oxan-2-ylmethylsulfanyl)-1-phenethylbenzimidazole Traditional Name: 1-phenethyl-2-(tetrahydropyran-2-ylmethylthio)benzimidazole Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

InChI

InChI=1S/C21H24N2OS/c1-2-8-17(9-3-1)13-14-23-20-12-5-4-11-19(20)22-21(23)25-16-18-10-6-7-15-24-18/h1-5,8-9,11-12,18H,6-7,10,13-16H2