(2-methylphenyl)-(6-nitrobenzotriazol-1-yl)methanethione

Systemtic Name: (2-methylphenyl)-(6-nitrobenzotriazol-1-yl)methanethione Openeye Name: (6-nitrobenzotriazol-1-yl)-(o-tolyl)methanethione CAS Name: (2-methylphenyl)-(6-nitro-1-benzotriazolyl)methanethione IUPAC Name: (2-methylphenyl)-(6-nitrobenzotriazol-1-yl)methanethione Traditional Name: (6-nitrobenzotriazol-1-yl)-(o-tolyl)methanethione Formula: C14H10N4O2S MolecularWeight: 298.3198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=S)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

CC1=CC=CC=C1C(=S)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C14H10N4O2S/c1-9-4-2-3-5-11(9)14(21)17-13-8-10(18(19)20)6-7-12(13)15-16-17/h2-8H,1H3