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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-ethyl-5-methyl-thiophen-3-yl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-ethyl-5-methyl-3-thienyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(4-ethyl-5-methyl-3-thiophenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-ethyl-5-methylthiophen-3-yl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-(4-ethyl-5-methyl-3-thienyl)-4-methyl-1,2,4-triazole Formula: C17H18BrN3S2 MolecularWeight: 408.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1C2=NN=C(N2C)SCC3=CC(=CC=C3)Br)C

Isomeric SMILES

CCC1=C(SC=C1C2=NN=C(N2C)SCC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C17H18BrN3S2/c1-4-14-11(2)22-10-15(14)16-19-20-17(21(16)3)23-9-12-6-5-7-13(18)8-12/h5-8,10H,4,9H2,1-3H3