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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCC2=CC=C(C=C2)N3C=NC=N3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NCC2=CC=C(C=C2)N3C=NC=N3)Br

InChI

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