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

Systemtic Name: [4-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(4-methoxy-3-nitrophenyl)sulfonylamino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[(4-methoxy-3-nitrophenyl)sulfonylamino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] ester Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C)SC#N

InChI

InChI=1S/C16H15N3O5S2/c1-10-6-12(25-9-17)7-11(2)16(10)18-26(22,23)13-4-5-15(24-3)14(8-13)19(20)21/h4-8,18H,1-3H3