N-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)-2-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-6-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)-2-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-6-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)-2-phenyl-5-thioxo-7H-pyrrolo[3,4-b]pyridine-6-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)-2-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-6-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)-2-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-6-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)-2-phenyl-5-thioxo-7H-pyrrolo[3,4-b]pyridine-6-carboxamide Formula: C27H17FN4OS2 MolecularWeight: 496.578483

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C(=S)N1C(=O)NC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C(=S)N1C(=O)NC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H17FN4OS2/c28-18-12-10-16(11-13-18)19-14-21(17-6-2-1-3-7-17)29-22-15-32(25(34)24(19)22)27(33)31-26-30-20-8-4-5-9-23(20)35-26/h1-14H,15H2,(H,30,31,33)