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

Systemtic Name: 2-(phenylmethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole Openeye Name: 2-benzylsulfanyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole CAS Name: 2-(phenylmethylthio)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole IUPAC Name: 2-benzylsulfanyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole Traditional Name: 2-(benzylthio)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole Formula: C14H18N2S MolecularWeight: 246.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)NC(=N2)SCC3=CC=CC=C3

Isomeric SMILES

C1CCC2C(C1)NC(=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C14H18N2S/c1-2-6-11(7-3-1)10-17-14-15-12-8-4-5-9-13(12)16-14/h1-3,6-7,12-13H,4-5,8-10H2,(H,15,16)