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

Systemtic Name: 8-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 8-methyl-2-[[(5-propyl-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:

CCCC1=NC(=NN1)SCC2=NC(=O)C3=C(N2)C(=CC=C3)C

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=NC(=O)C3=C(N2)C(=CC=C3)C

InChI

InChI=1S/C15H17N5OS/c1-3-5-11-18-15(20-19-11)22-8-12-16-13-9(2)6-4-7-10(13)14(21)17-12/h4,6-7H,3,5,8H2,1-2H3,(H,16,17,21)(H,18,19,20)