5-(1-methyl-5-nitro-4-phenylsulfanyl-imidazol-2-yl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(1-methyl-5-nitro-4-phenylsulfanyl-imidazol-2-yl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(1-methyl-5-nitro-4-phenylsulfanyl-imidazol-2-yl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[1-methyl-5-nitro-4-(phenylthio)-2-imidazolyl]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(1-methyl-5-nitro-4-phenylsulfanylimidazol-2-yl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[1-methyl-5-nitro-4-(phenylthio)imidazol-2-yl]-1,3,4-thiadiazol-2-yl]amine Formula: C12H10N6O2S2 MolecularWeight: 334.3768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(N=C1C2=NN=C(S2)N)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(N=C1C2=NN=C(S2)N)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H10N6O2S2/c1-17-8(9-15-16-12(13)22-9)14-10(11(17)18(19)20)21-7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,16)