N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-4-phenyl-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-4-phenyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-phenyl-thiadiazole-5-carboxamide CAS Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-4-phenyl-5-thiadiazolecarboxamide IUPAC Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-phenylthiadiazole-5-carboxamide Traditional Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-phenyl-thiadiazole-5-carboxamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)C3=C(N=NS3)C4=CC=CC=C4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)C3=C(N=NS3)C4=CC=CC=C4)O)C

InChI

InChI=1S/C21H18N4O3S/c1-21(2)19(26)17(14-10-12(11-22)8-9-15(14)28-21)23-20(27)18-16(24-25-29-18)13-6-4-3-5-7-13/h3-10,17,19,26H,1-2H3,(H,23,27)