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

Systemtic Name: 3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C16H12N6OS MolecularWeight: 336.37108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H12N6OS/c23-15-13-8-4-5-9-14(13)18-20-22(15)11-24-16-19-17-10-21(16)12-6-2-1-3-7-12/h1-10H,11H2