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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-cyclopropyl-4-ethyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-cyclopropyl-4-ethyl-1,2,4-triazole Formula: C14H16BrN3S MolecularWeight: 338.26594

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3CC3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3CC3

InChI

InChI=1S/C14H16BrN3S/c1-2-18-13(11-6-7-11)16-17-14(18)19-9-10-4-3-5-12(15)8-10/h3-5,8,11H,2,6-7,9H2,1H3