1-[2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-[2-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[[2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-[[2-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4=C(N(C(=C4)C)CC5=CC=CO5)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4=C(N(C(=C4)C)CC5=CC=CO5)C

InChI

InChI=1S/C25H25N5O3S/c1-4-11-28-23(32)19-9-5-6-10-21(19)30-24(28)26-27-25(30)34-15-22(31)20-13-16(2)29(17(20)3)14-18-8-7-12-33-18/h5-10,12-13H,4,11,14-15H2,1-3H3