2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]-sulfanyl-methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]-sulfanyl-methyl]-1H-quinazolin-4-one Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)-sulfanyl-methyl]-1H-quinazolin-4-one CAS Name: 2-[mercapto-[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)-sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)-mercapto-methyl]-1H-quinazolin-4-one Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C(C2=NC(=O)C3=CC=CC=C3N2)S)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1C(C2=NC(=O)C3=CC=CC=C3N2)S)CC4=CC=CC=C4

InChI

InChI=1S/C19H17N5OS/c1-24-15(11-12-7-3-2-4-8-12)22-23-18(24)16(26)17-20-14-10-6-5-9-13(14)19(25)21-17/h2-10,16,26H,11H2,1H3,(H,20,21,25)