(6-nitrobenzotriazol-1-yl)-(4-nitrophenyl)methanethione

Systemtic Name: (6-nitrobenzotriazol-1-yl)-(4-nitrophenyl)methanethione Openeye Name: (6-nitrobenzotriazol-1-yl)-(4-nitrophenyl)methanethione CAS Name: (6-nitro-1-benzotriazolyl)-(4-nitrophenyl)methanethione IUPAC Name: (6-nitrobenzotriazol-1-yl)-(4-nitrophenyl)methanethione Traditional Name: (6-nitrobenzotriazol-1-yl)-(4-nitrophenyl)methanethione Formula: C13H7N5O4S MolecularWeight: 329.29078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=S)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=S)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H7N5O4S/c19-17(20)9-3-1-8(2-4-9)13(23)16-12-7-10(18(21)22)5-6-11(12)14-15-16/h1-7H