3-[(4-butoxy-3-nitro-phenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-butoxy-3-nitro-phenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine Openeye Name: 3-[(4-butoxy-3-nitro-phenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine CAS Name: 3-[(4-butoxy-3-nitrophenyl)methylthio]-5-ethyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-butoxy-3-nitrophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine Traditional Name: [3-[(4-butoxy-3-nitro-benzyl)thio]-5-ethyl-1,2,4-triazol-4-yl]amine Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CSC2=NN=C(N2N)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CSC2=NN=C(N2N)CC)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O3S/c1-3-5-8-23-13-7-6-11(9-12(13)20(21)22)10-24-15-18-17-14(4-2)19(15)16/h6-7,9H,3-5,8,10,16H2,1-2H3