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

Systemtic Name: N-(1-adamantyl)-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyrimidine-4-carboxamide Openeye Name: N-(1-adamantyl)-6-[(E)-styryl]-2-thioxo-1H-pyrimidine-4-carboxamide CAS Name: N-(1-adamantyl)-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyrimidine-4-carboxamide IUPAC Name: N-(1-adamantyl)-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyrimidine-4-carboxamide Traditional Name: N-(1-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)(C3)NC(=O)C4=NC(=S)NC(=C4)C=CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NC(=S)NC(=C4)/C=C/C5=CC=CC=C5

InChI

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