3-(2,4-dimethylphenyl)-2-[3-(1,2,4-triazol-1-yl)propylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(2,4-dimethylphenyl)-2-[3-(1,2,4-triazol-1-yl)propylsulfanyl]quinazolin-4-one Openeye Name: 3-(2,4-dimethylphenyl)-2-[3-(1,2,4-triazol-1-yl)propylsulfanyl]quinazolin-4-one CAS Name: 3-(2,4-dimethylphenyl)-2-[3-(1,2,4-triazol-1-yl)propylthio]-4-quinazolinone IUPAC Name: 3-(2,4-dimethylphenyl)-2-[3-(1,2,4-triazol-1-yl)propylsulfanyl]quinazolin-4-one Traditional Name: 3-(2,4-dimethylphenyl)-2-[3-(1,2,4-triazol-1-yl)propylthio]quinazolin-4-one Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCN4C=NC=N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCN4C=NC=N4)C

InChI

InChI=1S/C21H21N5OS/c1-15-8-9-19(16(2)12-15)26-20(27)17-6-3-4-7-18(17)24-21(26)28-11-5-10-25-14-22-13-23-25/h3-4,6-9,12-14H,5,10-11H2,1-2H3