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

Systemtic Name: 1-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-allyl-1-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[[2-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-allyl-1-[[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C26H22FN5O2S MolecularWeight: 487.548583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CSC3=NN=C4N3C5=CC=CC=C5C(=O)N4CC=C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CSC3=NN=C4N3C5=CC=CC=C5C(=O)N4CC=C

InChI

InChI=1S/C26H22FN5O2S/c1-4-13-30-24(34)20-7-5-6-8-22(20)32-25(30)28-29-26(32)35-15-23(33)21-14-16(2)31(17(21)3)19-11-9-18(27)10-12-19/h4-12,14H,1,13,15H2,2-3H3