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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-(4-nitrophenyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-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=C(C=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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