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

Systemtic Name: 3-(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-chlorophenyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C18H15ClN4O2S MolecularWeight: 386.8553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O2S/c1-2-11-22-17(14-5-7-15(19)8-6-14)20-21-18(22)26-12-13-3-9-16(10-4-13)23(24)25/h2-10H,1,11-12H2