1-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-(p-tolylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]thio]-4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-[[2-[4-(2-furoyl)piperazino]-2-keto-ethyl]thio]-4-(4-methylbenzyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C28H26N6O4S MolecularWeight: 542.60884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)N5CCN(CC5)C(=O)C6=CC=CO6

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)N5CCN(CC5)C(=O)C6=CC=CO6

InChI

InChI=1S/C28H26N6O4S/c1-19-8-10-20(11-9-19)17-33-25(36)21-5-2-3-6-22(21)34-27(33)29-30-28(34)39-18-24(35)31-12-14-32(15-13-31)26(37)23-7-4-16-38-23/h2-11,16H,12-15,17-18H2,1H3