(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methyl thiocyanate

Systemtic Name: (5-methyl-2-phenyl-1,2,3-triazol-4-yl)methyl thiocyanate Openeye Name: (5-methyl-2-phenyl-triazol-4-yl)methyl thiocyanate CAS Name: thiocyanic acid (5-methyl-2-phenyl-4-triazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyltriazol-4-yl)methyl thiocyanate Traditional Name: thiocyanic acid (5-methyl-2-phenyl-triazol-4-yl)methyl ester Formula: C11H10N4S MolecularWeight: 230.2889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1CSC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(N=C1CSC#N)C2=CC=CC=C2

InChI

InChI=1S/C11H10N4S/c1-9-11(7-16-8-12)14-15(13-9)10-5-3-2-4-6-10/h2-6H,7H2,1H3