N-[(E)-1-(3-methylsulfanyl-1,2,4-triazin-5-yl)butylideneamino]-4-nitro-aniline

Systemtic Name: N-[(E)-1-(3-methylsulfanyl-1,2,4-triazin-5-yl)butylideneamino]-4-nitro-aniline Openeye Name: N-[(E)-1-(3-methylsulfanyl-1,2,4-triazin-5-yl)butylideneamino]-4-nitro-aniline CAS Name: N-[(E)-1-[3-(methylthio)-1,2,4-triazin-5-yl]butylideneamino]-4-nitroaniline IUPAC Name: N-[(E)-1-(3-methylsulfanyl-1,2,4-triazin-5-yl)butylideneamino]-4-nitroaniline Traditional Name: [(E)-1-[3-(methylthio)-1,2,4-triazin-5-yl]butylideneamino]-(4-nitrophenyl)amine Formula: C14H16N6O2S MolecularWeight: 332.38084

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C2=CN=NC(=N2)SC

Isomeric SMILES

CCC/C(=N\NC1=CC=C(C=C1)[N+](=O)[O-])/C2=CN=NC(=N2)SC

InChI

InChI=1S/C14H16N6O2S/c1-3-4-12(13-9-15-19-14(16-13)23-2)18-17-10-5-7-11(8-6-10)20(21)22/h5-9,17H,3-4H2,1-2H3/b18-12+