2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-hexyl-quinazolin-4-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-hexyl-quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-hexyl-quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]thio]-3-hexyl-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-hexylquinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-hexyl-quinazolin-4-one Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=CC=C4)C

InChI

InChI=1S/C28H31N3O2S/c1-4-5-6-12-17-30-27(33)23-15-10-11-16-25(23)29-28(30)34-19-26(32)24-18-20(2)31(21(24)3)22-13-8-7-9-14-22/h7-11,13-16,18H,4-6,12,17,19H2,1-3H3