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

Systemtic Name: 3-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C17H14N6O2S MolecularWeight: 366.39706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H14N6O2S/c24-15-13-8-4-5-9-14(13)18-21-23(15)11-26-17-20-19-16(25)22(17)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,25)