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

Systemtic Name: 1-butylsulfanyl-4-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-butylsulfanyl-4-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-(butylthio)-4-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-butylsulfanyl-4-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-(butylthio)-4-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C2N1C3=CC=CC=C3C(=O)N2C4=CC=CC(=C4C)C

Isomeric SMILES

CCCCSC1=NN=C2N1C3=CC=CC=C3C(=O)N2C4=CC=CC(=C4C)C

InChI

InChI=1S/C21H22N4OS/c1-4-5-13-27-21-23-22-20-24(17-12-8-9-14(2)15(17)3)19(26)16-10-6-7-11-18(16)25(20)21/h6-12H,4-5,13H2,1-3H3