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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-bromophenyl)methylsulfanyl]-5-(4-nitrophenyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-bromobenzyl)thio]-5-(4-nitrophenyl)-1,2,4-triazole Formula: C18H15BrN4O2S MolecularWeight: 431.3063

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15BrN4O2S/c1-2-10-22-17(14-6-8-16(9-7-14)23(24)25)20-21-18(22)26-12-13-4-3-5-15(19)11-13/h2-9,11H,1,10,12H2