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

Systemtic Name: 5-azanyl-N-[(E)-(4-fluorophenyl)methylideneamino]-N-methyl-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-[(E)-(4-fluorophenyl)methyleneamino]-N-methyl-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-[(E)-(4-fluorophenyl)methylideneamino]-N-methyl-3-(methylthio)-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-[(E)-(4-fluorophenyl)methylideneamino]-N-methyl-3-methylsulfanyl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-[(E)-(4-fluorobenzylidene)amino]-N-methyl-3-(methylthio)-1,2,4-triazole-1-carbothioamide Formula: C12H13FN6S2 MolecularWeight: 324.400223

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)N1C(=NC(=N1)SC)N)N=CC2=CC=C(C=C2)F

Isomeric SMILES

CN(C(=S)N1C(=NC(=N1)SC)N)/N=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C12H13FN6S2/c1-18(15-7-8-3-5-9(13)6-4-8)12(20)19-10(14)16-11(17-19)21-2/h3-7H,1-2H3,(H2,14,16,17)/b15-7+