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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-ethyl-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-ethyl-4-isopropyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-ethyl-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-ethyl-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-ethyl-4-isopropyl-1,2,4-triazole Formula: C14H18BrN3S MolecularWeight: 340.28182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C(C)C)SCC2=CC(=CC=C2)Br

Isomeric SMILES

CCC1=NN=C(N1C(C)C)SCC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H18BrN3S/c1-4-13-16-17-14(18(13)10(2)3)19-9-11-6-5-7-12(15)8-11/h5-8,10H,4,9H2,1-3H3