2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylmethyl)benzenethiol

Systemtic Name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylmethyl)benzenethiol Openeye Name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylmethyl)benzenethiol CAS Name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylmethyl)benzenethiol IUPAC Name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylmethyl)benzenethiol Traditional Name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylmethyl)benzenethiol Formula: C14H18N2S MolecularWeight: 246.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)NC(=N2)CC3=CC=CC=C3S

Isomeric SMILES

C1CCC2C(C1)NC(=N2)CC3=CC=CC=C3S

InChI

InChI=1S/C14H18N2S/c17-13-8-4-1-5-10(13)9-14-15-11-6-2-3-7-12(11)16-14/h1,4-5,8,11-12,17H,2-3,6-7,9H2,(H,15,16)