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

Systemtic Name: 3-[[4-(2-methylpropoxy)-3-nitro-phenyl]methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-isobutoxy-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[[4-(2-methylpropoxy)-3-nitrophenyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[[4-(2-methylpropoxy)-3-nitrophenyl]methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-isobutoxy-3-nitro-benzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)CSC2=NN=CN2N)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)CSC2=NN=CN2N)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O3S/c1-9(2)6-21-12-4-3-10(5-11(12)18(19)20)7-22-13-16-15-8-17(13)14/h3-5,8-9H,6-7,14H2,1-2H3