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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-furylmethyl)quinazolin-4-one CAS Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-3-(2-furanylmethyl)-4-quinazolinone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-3-(2-furfuryl)quinazolin-4-one Formula: C16H14N6O2S MolecularWeight: 354.38636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NNC(=N3)N)CC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NNC(=N3)N)CC4=CC=CO4

InChI

InChI=1S/C16H14N6O2S/c17-15-19-16(21-20-15)25-9-13-18-12-6-2-1-5-11(12)14(23)22(13)8-10-4-3-7-24-10/h1-7H,8-9H2,(H3,17,19,20,21)