3-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 3-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(2-furylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(2-furanylmethyl)-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(2-furfuryl)-2-[(1H-1,2,4-triazol-5-ylthio)methyl]quinazolin-4-one Formula: C16H13N5O2S MolecularWeight: 339.37172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NN3)CC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NN3)CC4=CC=CO4

InChI

InChI=1S/C16H13N5O2S/c22-15-12-5-1-2-6-13(12)19-14(9-24-16-17-10-18-20-16)21(15)8-11-4-3-7-23-11/h1-7,10H,8-9H2,(H,17,18,20)