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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NN1)SCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)CC1=NC(=NN1)SCN2C=NC3=CC=CC=C3C2=O

InChI

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