[2-[(1-methylimidazol-2-yl)sulfanylmethyl]-3H-benzimidazol-5-yl]-phenyl-methanone; phosphoric acid

Systemtic Name: [2-[(1-methylimidazol-2-yl)sulfanylmethyl]-3H-benzimidazol-5-yl]-phenyl-methanone; phosphoric acid Openeye Name: [2-[(1-methylimidazol-2-yl)sulfanylmethyl]-3H-benzimidazol-5-yl]-phenyl-methanone; phosphoric acid CAS Name: [2-[[(1-methyl-2-imidazolyl)thio]methyl]-3H-benzimidazol-5-yl]-phenylmethanone; phosphoric acid IUPAC Name: [2-[(1-methylimidazol-2-yl)sulfanylmethyl]-3H-benzimidazol-5-yl]-phenylmethanone; phosphoric acid Traditional Name: [2-[[(1-methylimidazol-2-yl)thio]methyl]-3H-benzimidazol-5-yl]-phenyl-methanone; phosphoric acid Formula: C19H22N4O9P2S MolecularWeight: 544.411902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

CN1C=CN=C1SCC2=NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C19H16N4OS.2H3O4P/c1-23-10-9-20-19(23)25-12-17-21-15-8-7-14(11-16(15)22-17)18(24)13-5-3-2-4-6-13;2*1-5(2,3)4/h2-11H,12H2,1H3,(H,21,22);2*(H3,1,2,3,4)