4,6-bis(3-nitrophenyl)-1,3,5-triazinane-2-thione

Systemtic Name: 4,6-bis(3-nitrophenyl)-1,3,5-triazinane-2-thione Openeye Name: 4,6-bis(3-nitrophenyl)-1,3,5-triazinane-2-thione CAS Name: 4,6-bis(3-nitrophenyl)-1,3,5-triazinane-2-thione IUPAC Name: 4,6-bis(3-nitrophenyl)-1,3,5-triazinane-2-thione Traditional Name: 4,6-bis(3-nitrophenyl)-1,3,5-triazinane-2-thione Formula: C15H13N5O4S MolecularWeight: 359.35982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2NC(NC(=S)N2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2NC(NC(=S)N2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O4S/c21-19(22)11-5-1-3-9(7-11)13-16-14(18-15(25)17-13)10-4-2-6-12(8-10)20(23)24/h1-8,13-14,16H,(H2,17,18,25)