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

Systemtic Name: 3-[(4-butoxy-3-nitro-phenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine Openeye Name: 3-[(4-butoxy-3-nitro-phenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine CAS Name: 3-[(4-butoxy-3-nitrophenyl)methylthio]-5-methyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-butoxy-3-nitrophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine Traditional Name: [3-[(4-butoxy-3-nitro-benzyl)thio]-5-methyl-1,2,4-triazol-4-yl]amine Formula: C14H19N5O3S MolecularWeight: 337.39736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O3S/c1-3-4-7-22-13-6-5-11(8-12(13)19(20)21)9-23-14-17-16-10(2)18(14)15/h5-6,8H,3-4,7,9,15H2,1-2H3