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

Systemtic Name: 3-ethylsulfanyl-4-[(4-nitrophenyl)methyl]-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-ethylsulfanyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazole CAS Name: 3-(ethylthio)-4-[(4-nitrophenyl)methyl]-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-ethylsulfanyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazole Traditional Name: 3-benzyl-5-(ethylthio)-4-(4-nitrobenzyl)-1,2,4-triazole Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCSC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-2-25-18-20-19-17(12-14-6-4-3-5-7-14)21(18)13-15-8-10-16(11-9-15)22(23)24/h3-11H,2,12-13H2,1H3