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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

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