N-(2-adamantyl)-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyrimidine-4-carboxamide

Systemtic Name: N-(2-adamantyl)-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyrimidine-4-carboxamide Openeye Name: N-(2-adamantyl)-6-[(E)-styryl]-2-thioxo-1H-pyrimidine-4-carboxamide CAS Name: N-(2-adamantyl)-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyrimidine-4-carboxamide IUPAC Name: N-(2-adamantyl)-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyrimidine-4-carboxamide Traditional Name: N-(2-adamantyl)-6-[(E)-styryl]-2-thioxo-1H-pyrimidine-4-carboxamide Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=NC(=S)NC(=C4)C=CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=NC(=S)NC(=C4)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C23H25N3OS/c27-22(26-21-17-9-15-8-16(11-17)12-18(21)10-15)20-13-19(24-23(28)25-20)7-6-14-4-2-1-3-5-14/h1-7,13,15-18,21H,8-12H2,(H,26,27)(H,24,25,28)/b7-6+