4-(isothiocyanatomethyl)-5-methyl-2-phenyl-1,2,3-triazole

Systemtic Name: 4-(isothiocyanatomethyl)-5-methyl-2-phenyl-1,2,3-triazole Openeye Name: 4-(isothiocyanatomethyl)-5-methyl-2-phenyl-triazole CAS Name: 4-(isothiocyanatomethyl)-5-methyl-2-phenyltriazole IUPAC Name: 4-(isothiocyanatomethyl)-5-methyl-2-phenyltriazole Traditional Name: 4-(isothiocyanatomethyl)-5-methyl-2-phenyl-triazole Formula: C11H10N4S MolecularWeight: 230.2889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1CN=C=S)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(N=C1CN=C=S)C2=CC=CC=C2

InChI

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