2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one

Systemtic Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[(4,5-dimethoxy-2-methyl-benzyl)thio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4)OC)OC

InChI

InChI=1S/C20H19N5O3S/c1-12-8-16(27-2)17(28-3)9-13(12)10-29-20-23-15-7-5-4-6-14(15)18(26)25(20)19-21-11-22-24-19/h4-9,11H,10H2,1-3H3,(H,21,22,24)