3-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C15H12N6O2S MolecularWeight: 340.35978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NN=CN3CC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NN=CN3CC4=CC=CO4

InChI

InChI=1S/C15H12N6O2S/c22-14-12-5-1-2-6-13(12)17-19-21(14)10-24-15-18-16-9-20(15)8-11-4-3-7-23-11/h1-7,9H,8,10H2