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

Systemtic Name: 2-[[4-(3-methylbutyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-isopentyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(3-methylbutyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3-methylbutyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-isoamyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)CCN1C=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C16H19N5OS/c1-11(2)7-8-21-10-17-20-16(21)23-9-14-18-13-6-4-3-5-12(13)15(22)19-14/h3-6,10-11H,7-9H2,1-2H3,(H,18,19,22)