3-methyl-4-(3-nitrophenyl)-1H-1,3,5-benzotriazepine-2-thione

Systemtic Name: 3-methyl-4-(3-nitrophenyl)-1H-1,3,5-benzotriazepine-2-thione Openeye Name: 3-methyl-4-(3-nitrophenyl)-1H-1,3,5-benzotriazepine-2-thione CAS Name: 3-methyl-4-(3-nitrophenyl)-1H-1,3,5-benzotriazepine-2-thione IUPAC Name: 3-methyl-4-(3-nitrophenyl)-1H-1,3,5-benzotriazepine-2-thione Traditional Name: 3-methyl-4-(3-nitrophenyl)-1H-1,3,5-benzotriazepine-2-thione Formula: C15H12N4O2S MolecularWeight: 312.34638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2NC1=S)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NC2=CC=CC=C2NC1=S)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O2S/c1-18-14(10-5-4-6-11(9-10)19(20)21)16-12-7-2-3-8-13(12)17-15(18)22/h2-9H,1H3,(H,17,22)