N,N-diethyl-4-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline

Systemtic Name: N,N-diethyl-4-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline Openeye Name: N,N-diethyl-4-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline CAS Name: N,N-diethyl-4-[5-[(2-methoxy-5-nitrophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]aniline IUPAC Name: N,N-diethyl-4-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline Traditional Name: diethyl-[4-[5-[(2-methoxy-5-nitro-benzyl)thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]amine Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N5O3S/c1-5-25(6-2)17-9-7-15(8-10-17)20-22-23-21(24(20)3)30-14-16-13-18(26(27)28)11-12-19(16)29-4/h7-13H,5-6,14H2,1-4H3