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

Systemtic Name: 2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(5-isobutyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NN1)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)CC1=NC(=NN1)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C15H17N5OS/c1-9(2)7-12-18-15(20-19-12)22-8-13-16-11-6-4-3-5-10(11)14(21)17-13/h3-6,9H,7-8H2,1-2H3,(H,16,17,21)(H,18,19,20)