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

Systemtic Name: 3-(3-bromophenyl)-5-[(2-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3-bromophenyl)-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(3-bromophenyl)-5-[(2-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(3-bromophenyl)-5-[(2-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3-bromophenyl)-5-[(2-nitrobenzyl)thio]-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[N+](=O)[O-])C3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

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