6-(1-adamantylcarbonyl)-2-azanyl-4-(4-chlorophenyl)-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile

Systemtic Name: 6-(1-adamantylcarbonyl)-2-azanyl-4-(4-chlorophenyl)-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile Openeye Name: 6-(adamantane-1-carbonyl)-2-amino-4-(4-chlorophenyl)-5-thioxo-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile CAS Name: 6-[1-adamantyl(oxo)methyl]-2-amino-4-(4-chlorophenyl)-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile IUPAC Name: 6-(adamantane-1-carbonyl)-2-amino-4-(4-chlorophenyl)-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile Traditional Name: 6-(adamantane-1-carbonyl)-2-amino-4-(4-chlorophenyl)-5-thioxo-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile Formula: C25H23ClN4OS MolecularWeight: 462.99432

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC5=C(C4=S)C(=C(C(=N5)N)C#N)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC5=C(C4=S)C(=C(C(=N5)N)C#N)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C25H23ClN4OS/c26-17-3-1-16(2-4-17)20-18(11-27)22(28)29-19-12-30(23(32)21(19)20)24(31)25-8-13-5-14(9-25)7-15(6-13)10-25/h1-4,13-15H,5-10,12H2,(H2,28,29)