5-[(6-tert-butyl-1H-benzimidazol-5-yl)sulfanyl]-6-oxidanyl-2-phenethyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 5-[(6-tert-butyl-1H-benzimidazol-5-yl)sulfanyl]-6-oxidanyl-2-phenethyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-[(6-tert-butyl-1H-benzimidazol-5-yl)sulfanyl]-6-hydroxy-2-isopropyl-2-phenethyl-3H-pyran-4-one CAS Name: 5-[(6-tert-butyl-1H-benzimidazol-5-yl)thio]-6-hydroxy-2-phenethyl-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-[(6-tert-butyl-1H-benzimidazol-5-yl)sulfanyl]-6-hydroxy-2-phenethyl-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(6-tert-butyl-1H-benzimidazol-5-yl)thio]-6-hydroxy-2-isopropyl-2-phenethyl-3H-pyran-4-one Formula: C27H32N2O3S MolecularWeight: 464.61958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)C(=C(O1)O)SC2=CC3=C(C=C2C(C)(C)C)NC=N3)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1(CC(=O)C(=C(O1)O)SC2=CC3=C(C=C2C(C)(C)C)NC=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O3S/c1-17(2)27(12-11-18-9-7-6-8-10-18)15-22(30)24(25(31)32-27)33-23-14-21-20(28-16-29-21)13-19(23)26(3,4)5/h6-10,13-14,16-17,31H,11-12,15H2,1-5H3,(H,28,29)