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

Systemtic Name: (4-bromophenyl)-(6-nitrobenzotriazol-1-yl)methanethione Openeye Name: (4-bromophenyl)-(6-nitrobenzotriazol-1-yl)methanethione CAS Name: (4-bromophenyl)-(6-nitro-1-benzotriazolyl)methanethione IUPAC Name: (4-bromophenyl)-(6-nitrobenzotriazol-1-yl)methanethione Traditional Name: (4-bromophenyl)-(6-nitrobenzotriazol-1-yl)methanethione Formula: C13H7BrN4O2S MolecularWeight: 363.18928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7BrN4O2S/c14-9-3-1-8(2-4-9)13(21)17-12-7-10(18(19)20)5-6-11(12)15-16-17/h1-7H