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

Systemtic Name: 3-(3-bromophenyl)-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3-bromophenyl)-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(3-bromophenyl)-5-[(4-methoxy-3-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(3-bromophenyl)-5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3-bromophenyl)-5-[(4-methoxy-3-nitro-benzyl)thio]-1,2,4-triazole Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrN4O3S/c1-3-9-23-18(14-5-4-6-15(20)11-14)21-22-19(23)28-12-13-7-8-17(27-2)16(10-13)24(25)26/h3-8,10-11H,1,9,12H2,2H3