[4-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]-3-methyl-phenyl] thiocyanate

Systemtic Name: [4-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-3-methylphenyl] ester IUPAC Name: [4-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]-3-methyl-phenyl] ester Formula: C15H12ClN3O4S2 MolecularWeight: 397.85648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C15H12ClN3O4S2/c1-9-5-11(24-8-17)3-4-14(9)18-25(22,23)12-6-13(16)10(2)15(7-12)19(20)21/h3-7,18H,1-2H3