2-[[(2,4-dimethylphenyl)methyl-methyl-amino]methyl]-4-methyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 2-[[(2,4-dimethylphenyl)methyl-methyl-amino]methyl]-4-methyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 2-[[(2,4-dimethylphenyl)methyl-methyl-amino]methyl]-4-methyl-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 2-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-4-methyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 2-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-4-methyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 2-[[(2,4-dimethylbenzyl)-methyl-amino]methyl]-4-methyl-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)CN2C(=S)N3C4=CC=CC=C4C(=O)N(C3=N2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)CN2C(=S)N3C4=CC=CC=C4C(=O)N(C3=N2)C)C

InChI

InChI=1S/C21H23N5OS/c1-14-9-10-16(15(2)11-14)12-23(3)13-25-21(28)26-18-8-6-5-7-17(18)19(27)24(4)20(26)22-25/h5-11H,12-13H2,1-4H3