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

Systemtic Name: [3,5-dimethyl-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]phenyl] ester Formula: C16H15N3O4S2 MolecularWeight: 377.438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2C)SC#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2C)SC#N)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S2/c1-10-4-5-14(8-15(10)19(20)21)25(22,23)18-16-11(2)6-13(24-9-17)7-12(16)3/h4-8,18H,1-3H3