2-bromanyl-4-methyl-N-[(2-phenyl-1,2,3-triazol-4-yl)methyl]aniline

Systemtic Name: 2-bromanyl-4-methyl-N-[(2-phenyl-1,2,3-triazol-4-yl)methyl]aniline Openeye Name: 2-bromo-4-methyl-N-[(2-phenyltriazol-4-yl)methyl]aniline CAS Name: 2-bromo-4-methyl-N-[(2-phenyl-4-triazolyl)methyl]aniline IUPAC Name: 2-bromo-4-methyl-N-[(2-phenyltriazol-4-yl)methyl]aniline Traditional Name: (2-bromo-4-methyl-phenyl)-[(2-phenyltriazol-4-yl)methyl]amine Formula: C16H15BrN4 MolecularWeight: 343.2211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCC2=NN(N=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NCC2=NN(N=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C16H15BrN4/c1-12-7-8-16(15(17)9-12)18-10-13-11-19-21(20-13)14-5-3-2-4-6-14/h2-9,11,18H,10H2,1H3