5-ethylsulfanyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-amine

Systemtic Name: 5-ethylsulfanyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-amine Openeye Name: 5-ethylsulfanyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-amine CAS Name: 5-(ethylthio)-4-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-amine IUPAC Name: 5-ethylsulfanyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-amine Traditional Name: [5-(ethylthio)-4-(4-nitrobenzyl)-1,2,4-triazol-3-yl]amine Formula: C11H13N5O2S MolecularWeight: 279.31822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N5O2S/c1-2-19-11-14-13-10(12)15(11)7-8-3-5-9(6-4-8)16(17)18/h3-6H,2,7H2,1H3,(H2,12,13)