3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole

Systemtic Name: 3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole Openeye Name: 3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-(2-thienylmethyl)-1H-1,2,4-triazole CAS Name: 3-[(3-methyl-5-nitro-4-imidazolyl)thio]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole IUPAC Name: 3-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole Traditional Name: 3-[(3-methyl-5-nitro-imidazol-4-yl)thio]-5-(2-thenyl)-1H-1,2,4-triazole Formula: C11H10N6O2S2 MolecularWeight: 322.3661

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NNC(=N2)CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NNC(=N2)CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C11H10N6O2S2/c1-16-6-12-9(17(18)19)10(16)21-11-13-8(14-15-11)5-7-3-2-4-20-7/h2-4,6H,5H2,1H3,(H,13,14,15)