3-[(4-bromophenyl)methylsulfanyl]-5-cyclopentyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-cyclopentyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-cyclopentyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-cyclopentyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-cyclopentyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromobenzyl)thio]-5-cyclopentyl-1,2,4-triazole Formula: C17H20BrN3S MolecularWeight: 378.3298

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3CCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3CCCC3

InChI

InChI=1S/C17H20BrN3S/c1-2-11-21-16(14-5-3-4-6-14)19-20-17(21)22-12-13-7-9-15(18)10-8-13/h2,7-10,14H,1,3-6,11-12H2