3-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C16H14N6OS2 MolecularWeight: 370.45196

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)CC4=CC=CS4

InChI

InChI=1S/C16H14N6OS2/c1-21-14(9-11-5-4-8-24-11)18-19-16(21)25-10-22-15(23)12-6-2-3-7-13(12)17-20-22/h2-8H,9-10H2,1H3