[4-[[5-methyl-1-(4-propan-2-ylphenyl)-1,2,3-triazol-4-yl]carbonylamino]phenyl] thiocyanate

Systemtic Name: [4-[[5-methyl-1-(4-propan-2-ylphenyl)-1,2,3-triazol-4-yl]carbonylamino]phenyl] thiocyanate Openeye Name: [4-[[1-(4-isopropylphenyl)-5-methyl-triazole-4-carbonyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[[5-methyl-1-(4-propan-2-ylphenyl)-4-triazolyl]-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[[5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carbonyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(5-methyl-1-p-cumenyl-triazole-4-carbonyl)amino]phenyl] ester Formula: C20H19N5OS MolecularWeight: 377.46276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=C(C=C2)C(C)C)C(=O)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

CC1=C(N=NN1C2=CC=C(C=C2)C(C)C)C(=O)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C20H19N5OS/c1-13(2)15-4-8-17(9-5-15)25-14(3)19(23-24-25)20(26)22-16-6-10-18(11-7-16)27-12-21/h4-11,13H,1-3H3,(H,22,26)