(6-nitrobenzotriazol-1-yl)-phenyl-methanethione

Systemtic Name: (6-nitrobenzotriazol-1-yl)-phenyl-methanethione Openeye Name: (6-nitrobenzotriazol-1-yl)-phenyl-methanethione CAS Name: (6-nitro-1-benzotriazolyl)-phenylmethanethione IUPAC Name: (6-nitrobenzotriazol-1-yl)-phenylmethanethione Traditional Name: (6-nitrobenzotriazol-1-yl)-phenyl-methanethione Formula: C13H8N4O2S MolecularWeight: 284.29322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N4O2S/c18-17(19)10-6-7-11-12(8-10)16(15-14-11)13(20)9-4-2-1-3-5-9/h1-8H