3-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H16N6O2S/c25-16-14-8-4-5-9-15(14)19-22-24(16)12-27-18-21-20-17(26)23(18)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,26)