2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(4-tert-butylphenyl)-2-oxo-ethyl]sulfanyl-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 2-[[2-(4-tert-butylphenyl)-2-oxoethyl]thio]-3-(2-oxolanylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(4-tert-butylphenyl)-2-keto-ethyl]thio]-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C25H28N2O3S/c1-25(2,3)18-12-10-17(11-13-18)22(28)16-31-24-26-21-9-5-4-8-20(21)23(29)27(24)15-19-7-6-14-30-19/h4-5,8-13,19H,6-7,14-16H2,1-3H3