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

Systemtic Name: [3-methyl-4-[(4-propylphenyl)sulfonylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[(4-propylphenyl)sulfonylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[(4-propylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [3-methyl-4-[(4-propylphenyl)sulfonylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[(4-propylphenyl)sulfonylamino]phenyl] ester Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)SC#N)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)SC#N)C

InChI

InChI=1S/C17H18N2O2S2/c1-3-4-14-5-8-16(9-6-14)23(20,21)19-17-10-7-15(22-12-18)11-13(17)2/h5-11,19H,3-4H2,1-2H3