2-[2-(phenylmethylsulfanyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole

Systemtic Name: 2-[2-(phenylmethylsulfanyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole Openeye Name: 2-(2-benzylsulfanylphenyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole CAS Name: 2-[2-(phenylmethylthio)phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole IUPAC Name: 2-(2-benzylsulfanylphenyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole Traditional Name: 2-[2-(benzylthio)phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole Formula: C20H22N2S MolecularWeight: 322.46708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)NC(=N2)C3=CC=CC=C3SCC4=CC=CC=C4

Isomeric SMILES

C1CCC2C(C1)NC(=N2)C3=CC=CC=C3SCC4=CC=CC=C4

InChI

InChI=1S/C20H22N2S/c1-2-8-15(9-3-1)14-23-19-13-7-4-10-16(19)20-21-17-11-5-6-12-18(17)22-20/h1-4,7-10,13,17-18H,5-6,11-12,14H2,(H,21,22)