[3-ethyl-4-[(2-methoxy-5-nitro-phenyl)sulfonylamino]phenyl] thiocyanate

Systemtic Name: [3-ethyl-4-[(2-methoxy-5-nitro-phenyl)sulfonylamino]phenyl] thiocyanate Openeye Name: [3-ethyl-4-[(2-methoxy-5-nitro-phenyl)sulfonylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-ethyl-4-[(2-methoxy-5-nitrophenyl)sulfonylamino]phenyl] ester IUPAC Name: [3-ethyl-4-[(2-methoxy-5-nitrophenyl)sulfonylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-ethyl-4-[(2-methoxy-5-nitro-phenyl)sulfonylamino]phenyl] ester Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H15N3O5S2/c1-3-11-8-13(25-10-17)5-6-14(11)18-26(22,23)16-9-12(19(20)21)4-7-15(16)24-2/h4-9,18H,3H2,1-2H3