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

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

CCCCOC1=C(C=C(C=C1)CSC2=NN=CN2N)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CSC2=NN=CN2N)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O3S/c1-2-3-6-21-12-5-4-10(7-11(12)18(19)20)8-22-13-16-15-9-17(13)14/h4-5,7,9H,2-3,6,8,14H2,1H3