N-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethylideneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethylideneamino]amine Formula: C11H11N7O4S MolecularWeight: 337.31454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)SC/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N7O4S/c1-7-13-11(16-14-7)23-5-4-12-15-9-3-2-8(17(19)20)6-10(9)18(21)22/h2-4,6,15H,5H2,1H3,(H,13,14,16)/b12-4+