2-[(3-azanyl-5-methylsulfanyl-1,2,4-triazol-1-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[(3-azanyl-5-methylsulfanyl-1,2,4-triazol-1-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[(3-amino-5-methylsulfanyl-1,2,4-triazol-1-yl)methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[[3-amino-5-(methylthio)-1,2,4-triazol-1-yl]methyl]-5-methyl-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(3-amino-5-methylsulfanyl-1,2,4-triazol-1-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[[3-amino-5-(methylthio)-1,2,4-triazol-1-yl]methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C(=NC(=N4)N)SC

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C(=NC(=N4)N)SC

InChI

InChI=1S/C20H20N6OS/c1-12-7-4-5-10-15(12)26-16(11-25-20(28-3)23-19(21)24-25)22-14-9-6-8-13(2)17(14)18(26)27/h4-10H,11H2,1-3H3,(H2,21,24)