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

Systemtic Name: [3-methyl-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl] ester IUPAC Name: [3-methyl-4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]phenyl] ester Formula: C15H13N3O4S2 MolecularWeight: 363.41142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)SC#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)SC#N)C)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O4S2/c1-10-3-5-13(8-15(10)18(19)20)24(21,22)17-14-6-4-12(23-9-16)7-11(14)2/h3-8,17H,1-2H3