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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-methyl-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Formula: C16H17BrN4S MolecularWeight: 377.30198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2C)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2C)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H17BrN4S/c1-20-8-4-7-14(20)10-15-18-19-16(21(15)2)22-11-12-5-3-6-13(17)9-12/h3-9H,10-11H2,1-2H3