N,N-diethyl-4-nitro-2-[[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]iminomethyl]aniline

Systemtic Name: N,N-diethyl-4-nitro-2-[[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]iminomethyl]aniline Openeye Name: 2-[(3-benzylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]-N,N-diethyl-4-nitro-aniline CAS Name: N,N-diethyl-4-nitro-2-[[3-(phenylmethylthio)-1,2,4-triazol-4-yl]iminomethyl]aniline IUPAC Name: 2-[(3-benzylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]-N,N-diethyl-4-nitroaniline Traditional Name: [2-[[3-(benzylthio)-1,2,4-triazol-4-yl]iminomethyl]-4-nitro-phenyl]-diethyl-amine Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C=NN2C=NN=C2SCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C=NN2C=NN=C2SCC3=CC=CC=C3

InChI

InChI=1S/C20H22N6O2S/c1-3-24(4-2)19-11-10-18(26(27)28)12-17(19)13-22-25-15-21-23-20(25)29-14-16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3