4-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline

Systemtic Name: 4-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline Openeye Name: 4-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline CAS Name: 4-[5-[(3-bromophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]aniline IUPAC Name: 4-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline Traditional Name: [4-[5-[(3-bromobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]amine Formula: C16H15BrN4S MolecularWeight: 375.2861

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=C(C=C3)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=C(C=C3)N

InChI

InChI=1S/C16H15BrN4S/c1-21-15(12-5-7-14(18)8-6-12)19-20-16(21)22-10-11-3-2-4-13(17)9-11/h2-9H,10,18H2,1H3