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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCC2=CC(=CC=C2)Br

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCC2=CC(=CC=C2)Br

InChI

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