4-(4-isothiocyanato-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide

Systemtic Name: 4-(4-isothiocyanato-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide Openeye Name: 4-(4-isothiocyanato-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide CAS Name: 4-(4-isothiocyanato-5-phenyl-7-pyrrolo[2,3-d]pyrimidinyl)benzenesulfonamide IUPAC Name: 4-(4-isothiocyanato-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide Traditional Name: 4-(4-isothiocyanato-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide Formula: C19H13N5O2S2 MolecularWeight: 407.46882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C3=NC=NC(=C23)N=C=S)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C3=NC=NC(=C23)N=C=S)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C19H13N5O2S2/c20-28(25,26)15-8-6-14(7-9-15)24-10-16(13-4-2-1-3-5-13)17-18(23-12-27)21-11-22-19(17)24/h1-11H,(H2,20,25,26)