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

Systemtic Name: 3-methyl-5-[[4-(2-methylpropoxy)-3-nitro-phenyl]methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-isobutoxy-3-nitro-phenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine CAS Name: 3-methyl-5-[[4-(2-methylpropoxy)-3-nitrophenyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-methyl-5-[[4-(2-methylpropoxy)-3-nitrophenyl]methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-isobutoxy-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:

CC1=NN=C(N1N)SCC2=CC(=C(C=C2)OCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1N)SCC2=CC(=C(C=C2)OCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O3S/c1-9(2)7-22-13-5-4-11(6-12(13)19(20)21)8-23-14-17-16-10(3)18(14)15/h4-6,9H,7-8,15H2,1-3H3