[4-[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]-3-methyl-phenyl] thiocyanate

Systemtic Name: [4-[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [3-methyl-4-[[4-[(1S)-1-methylpropyl]phenyl]sulfonylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]-3-methylphenyl] ester IUPAC Name: [4-[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[4-[(1S)-1-methylpropyl]phenyl]sulfonylamino]phenyl] ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)SC#N)C

InChI

InChI=1S/C18H20N2O2S2/c1-4-13(2)15-5-8-17(9-6-15)24(21,22)20-18-10-7-16(23-12-19)11-14(18)3/h5-11,13,20H,4H2,1-3H3/t13-/m0/s1