4-isocyanato-5-methyl-1-(phenylmethyl)-1,2,3-triazole

Systemtic Name: 4-isocyanato-5-methyl-1-(phenylmethyl)-1,2,3-triazole Openeye Name: 1-benzyl-4-isocyanato-5-methyl-triazole CAS Name: 4-isocyanato-5-methyl-1-(phenylmethyl)triazole IUPAC Name: 1-benzyl-4-isocyanato-5-methyltriazole Traditional Name: 1-benzyl-4-isocyanato-5-methyl-triazole Formula: C11H10N4O MolecularWeight: 214.2233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1CC2=CC=CC=C2)N=C=O

Isomeric SMILES

CC1=C(N=NN1CC2=CC=CC=C2)N=C=O

InChI

InChI=1S/C11H10N4O/c1-9-11(12-8-16)13-14-15(9)7-10-5-3-2-4-6-10/h2-6H,7H2,1H3