5-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-N-phenyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-N-phenyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-N-phenyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-N-methyl-N-phenyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-N-phenyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-1,3,4-thiadiazol-2-yl]-methyl-phenyl-amine Formula: C12H13N7S2 MolecularWeight: 319.40852

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NN=C(S2)N3C(=NC(=N3)SC)N

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NN=C(S2)N3C(=NC(=N3)SC)N

InChI

InChI=1S/C12H13N7S2/c1-18(8-6-4-3-5-7-8)11-15-16-12(21-11)19-9(13)14-10(17-19)20-2/h3-7H,1-2H3,(H2,13,14,17)