3-[(4-bromophenyl)methylsulfanyl]-4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazole Formula: C18H18BrN3S MolecularWeight: 388.32462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C)C

InChI

InChI=1S/C18H18BrN3S/c1-12-4-9-17(10-13(12)2)22-14(3)20-21-18(22)23-11-15-5-7-16(19)8-6-15/h4-10H,11H2,1-3H3