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

Systemtic Name: 3-(methoxymethyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(methoxymethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(methoxymethyl)-5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(methoxymethyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(methoxymethyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1CC=C)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COCC1=NN=C(N1CC=C)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3S/c1-3-8-17-13(9-21-2)15-16-14(17)22-10-11-4-6-12(7-5-11)18(19)20/h3-7H,1,8-10H2,2H3