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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C15H14BrN3OS MolecularWeight: 364.26016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C15H14BrN3OS/c1-10-13(6-7-20-10)14-17-18-15(19(14)2)21-9-11-4-3-5-12(16)8-11/h3-8H,9H2,1-2H3