4,5-dimethyl-2-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoylamino]thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-3-carboxamide Formula: C11H12N6O4S MolecularWeight: 324.31578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)CN2C=NC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)CN2C=NC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C11H12N6O4S/c1-5-6(2)22-10(8(5)9(12)19)14-7(18)3-16-4-13-11(15-16)17(20)21/h4H,3H2,1-2H3,(H2,12,19)(H,14,18)