bismuth 1H-benzimidazol-3-ium-2-thiol

Systemtic Name: bismuth 1H-benzimidazol-3-ium-2-thiol Openeye Name: bismuth 1H-benzimidazol-3-ium-2-thiol CAS Name: bismuth 1H-benzimidazol-3-ium-2-thiol IUPAC Name: bismuth 1H-benzimidazol-3-ium-2-thiol Traditional Name: bismuth 1H-benzimidazol-3-ium-2-thiol Formula: C42H42BiN12S6+9 MolecularWeight: 1116.23366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)S.C1=CC=C2C(=C1)NC(=[NH+]2)S.C1=CC=C2C(=C1)NC(=[NH+]2)S.C1=CC=C2C(=C1)NC(=[NH+]2)S.C1=CC=C2C(=C1)NC(=[NH+]2)S.C1=CC=C2C(=C1)NC(=[NH+]2)S.[Bi+3]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)S.C1=CC=C2C(=C1)NC(=[NH+]2)S.C1=CC=C2C(=C1)NC(=[NH+]2)S.C1=CC=C2C(=C1)NC(=[NH+]2)S.C1=CC=C2C(=C1)NC(=[NH+]2)S.C1=CC=C2C(=C1)NC(=[NH+]2)S.[Bi+3]

InChI

InChI=1S/6C7H6N2S.Bi/c6*10-7-8-5-3-1-2-4-6(5)9-7;/h6*1-4H,(H2,8,9,10);/q;;;;;;+3/p+6