3-[[4-(4-nitrophenyl)sulfanylphenyl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(4-nitrophenyl)sulfanylphenyl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(4-nitrophenyl)sulfanylphenyl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-[(4-nitrophenyl)thio]phenyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(4-nitrophenyl)sulfanylphenyl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[4-[(4-nitrophenyl)thio]benzyl]-1,2,3-benzotriazin-4-one Formula: C20H14N4O3S MolecularWeight: 390.41516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O3S/c25-20-18-3-1-2-4-19(18)21-22-23(20)13-14-5-9-16(10-6-14)28-17-11-7-15(8-12-17)24(26)27/h1-12H,13H2