[4,5-bis(azanyl)-2-methyl-phenyl] thiocyanate

Systemtic Name: [4,5-bis(azanyl)-2-methyl-phenyl] thiocyanate Openeye Name: (4,5-diamino-2-methyl-phenyl) thiocyanate CAS Name: thiocyanic acid (4,5-diamino-2-methylphenyl) ester IUPAC Name: (4,5-diamino-2-methylphenyl) thiocyanate Traditional Name: thiocyanic acid (4,5-diamino-2-methyl-phenyl) ester Formula: C8H9N3S MolecularWeight: 179.24216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SC#N)N)N

Isomeric SMILES

CC1=CC(=C(C=C1SC#N)N)N

InChI

InChI=1S/C8H9N3S/c1-5-2-6(10)7(11)3-8(5)12-4-9/h2-3H,10-11H2,1H3