1-(4-azanyl-2-oxidanyl-phenyl)-3-(4-cyanophenyl)urea; 4-methylbenzenesulfonic acid

Systemtic Name: 1-(4-azanyl-2-oxidanyl-phenyl)-3-(4-cyanophenyl)urea; 4-methylbenzenesulfonic acid Openeye Name: 1-(4-amino-2-hydroxy-phenyl)-3-(4-cyanophenyl)urea; 4-methylbenzenesulfonic acid CAS Name: 1-(4-amino-2-hydroxyphenyl)-3-(4-cyanophenyl)urea; 4-methylbenzenesulfonic acid IUPAC Name: 1-(4-amino-2-hydroxyphenyl)-3-(4-cyanophenyl)urea; 4-methylbenzenesulfonic acid Traditional Name: 1-(4-amino-2-hydroxy-phenyl)-3-(4-cyanophenyl)urea; tosylic acid Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C#N)NC(=O)NC2=C(C=C(C=C2)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C#N)NC(=O)NC2=C(C=C(C=C2)N)O

InChI

InChI=1S/C14H12N4O2.C7H8O3S/c15-8-9-1-4-11(5-2-9)17-14(20)18-12-6-3-10(16)7-13(12)19;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,19H,16H2,(H2,17,18,20);2-5H,1H3,(H,8,9,10)