5-azanyl-N-methyl-3-methylsulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-N-methyl-3-methylsulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-methyl-3-methylsulfanyl-N-[(E)-(3-nitrophenyl)methyleneamino]-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-methyl-3-(methylthio)-N-[(E)-(3-nitrophenyl)methylideneamino]-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-methyl-3-methylsulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-methyl-3-(methylthio)-N-[(E)-(3-nitrobenzylidene)amino]-1,2,4-triazole-1-carbothioamide Formula: C12H13N7O2S2 MolecularWeight: 351.40732

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)N1C(=NC(=N1)SC)N)N=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C(=S)N1C(=NC(=N1)SC)N)/N=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N7O2S2/c1-17(12(22)18-10(13)15-11(16-18)23-2)14-7-8-4-3-5-9(6-8)19(20)21/h3-7H,1-2H3,(H2,13,15,16)/b14-7+