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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-ethyl-5-methyl-thiophen-3-yl)-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-ethyl-5-methyl-3-thienyl)-4-isopropyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4-ethyl-5-methyl-3-thiophenyl)-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-ethyl-5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(4-ethyl-5-methyl-3-thienyl)-4-isopropyl-1,2,4-triazole Formula: C19H22BrN3S2 MolecularWeight: 436.43208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3S2/c1-5-16-13(4)24-11-17(16)18-21-22-19(23(18)12(2)3)25-10-14-6-8-15(20)9-7-14/h6-9,11-12H,5,10H2,1-4H3