3-ethylsulfanyl-5-(methoxymethyl)-4-[(4-nitrophenyl)methyl]-1,2,4-triazole

Systemtic Name: 3-ethylsulfanyl-5-(methoxymethyl)-4-[(4-nitrophenyl)methyl]-1,2,4-triazole Openeye Name: 3-ethylsulfanyl-5-(methoxymethyl)-4-[(4-nitrophenyl)methyl]-1,2,4-triazole CAS Name: 3-(ethylthio)-5-(methoxymethyl)-4-[(4-nitrophenyl)methyl]-1,2,4-triazole IUPAC Name: 3-ethylsulfanyl-5-(methoxymethyl)-4-[(4-nitrophenyl)methyl]-1,2,4-triazole Traditional Name: 3-(ethylthio)-5-(methoxymethyl)-4-(4-nitrobenzyl)-1,2,4-triazole Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])COC

Isomeric SMILES

CCSC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])COC

InChI

InChI=1S/C13H16N4O3S/c1-3-21-13-15-14-12(9-20-2)16(13)8-10-4-6-11(7-5-10)17(18)19/h4-7H,3,8-9H2,1-2H3