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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1)SCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC1=NC(=NN1)SCN2C=NC3=CC=CC=C3C2=O

InChI

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