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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-bromophenyl)methylsulfanyl]-5-phenethyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-bromobenzyl)thio]-5-phenethyl-1,2,4-triazole Formula: C20H20BrN3S MolecularWeight: 414.3619

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)CCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)CCC3=CC=CC=C3

InChI

InChI=1S/C20H20BrN3S/c1-2-13-24-19(12-11-16-7-4-3-5-8-16)22-23-20(24)25-15-17-9-6-10-18(21)14-17/h2-10,14H,1,11-13,15H2