N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Openeye Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide CAS Name: N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide IUPAC Name: N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Traditional Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-4-(3-nitro-1,2,4-triazol-1-yl)butyramide Formula: C14H16N6O3S MolecularWeight: 348.38024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C14H16N6O3S/c1-3-10-9(2)24-13(11(10)7-15)17-12(21)5-4-6-19-8-16-14(18-19)20(22)23/h8H,3-6H2,1-2H3,(H,17,21)