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

Systemtic Name: 2-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-hexyl-quinazolin-4-one Openeye Name: 2-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-3-hexyl-quinazolin-4-one CAS Name: 2-[[2-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-3-hexyl-4-quinazolinone IUPAC Name: 2-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-hexylquinazolin-4-one Traditional Name: 2-[[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-3-hexyl-quinazolin-4-one Formula: C28H30FN3O2S MolecularWeight: 491.620103

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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=C(C=C4)F)C

Isomeric SMILES

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

InChI

InChI=1S/C28H30FN3O2S/c1-4-5-6-9-16-31-27(34)23-10-7-8-11-25(23)30-28(31)35-18-26(33)24-17-19(2)32(20(24)3)22-14-12-21(29)13-15-22/h7-8,10-15,17H,4-6,9,16,18H2,1-3H3