7,7-dimethyl-2-pyridin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-6-thione dihydrate

Systemtic Name: 7,7-dimethyl-2-pyridin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-6-thione dihydrate Openeye Name: 7,7-dimethyl-2-(4-pyridyl)-1,5-dihydropyrrolo[2,3-f]benzimidazole-6-thione dihydrate CAS Name: 7,7-dimethyl-2-pyridin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-6-thione dihydrate IUPAC Name: 7,7-dimethyl-2-pyridin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-6-thione dihydrate Traditional Name: 7,7-dimethyl-2-(4-pyridyl)-1,5-dihydropyrrolo[2,3-f]benzimidazole-6-thione dihydrate Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC3=C(C=C2NC1=S)N=C(N3)C4=CC=NC=C4)C.O.O

Isomeric SMILES

CC1(C2=CC3=C(C=C2NC1=S)N=C(N3)C4=CC=NC=C4)C.O.O

InChI

InChI=1S/C16H14N4S.2H2O/c1-16(2)10-7-12-13(8-11(10)20-15(16)21)19-14(18-12)9-3-5-17-6-4-9;;/h3-8H,1-2H3,(H,18,19)(H,20,21);2*1H2