2-[4-methyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[4-methyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(o-tolyl)acetamide CAS Name: 2-[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[5-[(4-keto-1H-quinazolin-2-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-N-(o-tolyl)acetamide Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H20N6O2S/c1-13-7-3-5-9-15(13)23-19(28)11-18-25-26-21(27(18)2)30-12-17-22-16-10-6-4-8-14(16)20(29)24-17/h3-10H,11-12H2,1-2H3,(H,23,28)(H,22,24,29)