1-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-benzyl-1-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[[2-(2,4-dimethylphenyl)-2-oxoethyl]thio]-4-(phenylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-benzyl-1-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-benzyl-1-[[2-(2,4-dimethylphenyl)-2-keto-ethyl]thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)C

InChI

InChI=1S/C26H22N4O2S/c1-17-12-13-20(18(2)14-17)23(31)16-33-26-28-27-25-29(15-19-8-4-3-5-9-19)24(32)21-10-6-7-11-22(21)30(25)26/h3-14H,15-16H2,1-2H3