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4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)benzenecarbonitrile hydrochloride
4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)benzenecarbonitrile hydrochloride
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC2C(C1)NC(=N2)SCC3=CC=C(C=C3)C#N.Cl
Isomeric SMILES
C1CCC2C(C1)NC(=N2)SCC3=CC=C(C=C3)C#N.Cl
InChI
InChI=1S/C15H17N3S.ClH/c16-9-11-5-7-12(8-6-11)10-19-15-17-13-3-1-2-4-14(13)18-15;/h5-8,13-14H,1-4,10H2,(H,17,18);1H
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