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

Systemtic Name: [4-[[5-(methoxymethyl)-1-phenyl-1,2,3-triazol-4-yl]carbonylamino]phenyl] thiocyanate Openeye Name: [4-[[5-(methoxymethyl)-1-phenyl-triazole-4-carbonyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[[5-(methoxymethyl)-1-phenyl-4-triazolyl]-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[[5-(methoxymethyl)-1-phenyltriazole-4-carbonyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[5-(methoxymethyl)-1-phenyl-triazole-4-carbonyl]amino]phenyl] ester Formula: C18H15N5O2S MolecularWeight: 365.409

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(N=NN1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

COCC1=C(N=NN1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C18H15N5O2S/c1-25-11-16-17(21-22-23(16)14-5-3-2-4-6-14)18(24)20-13-7-9-15(10-8-13)26-12-19/h2-10H,11H2,1H3,(H,20,24)