N-(3-ethynylphenyl)-5-methyl-4-nitro-thiophene-2-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-5-methyl-4-nitro-thiophene-2-carboxamide Openeye Name: N-(3-ethynylphenyl)-5-methyl-4-nitro-thiophene-2-carboxamide CAS Name: N-(3-ethynylphenyl)-5-methyl-4-nitro-2-thiophenecarboxamide IUPAC Name: N-(3-ethynylphenyl)-5-methyl-4-nitrothiophene-2-carboxamide Traditional Name: N-(3-ethynylphenyl)-5-methyl-4-nitro-thiophene-2-carboxamide Formula: C14H10N2O3S MolecularWeight: 286.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)NC2=CC=CC(=C2)C#C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)NC2=CC=CC(=C2)C#C)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O3S/c1-3-10-5-4-6-11(7-10)15-14(17)13-8-12(16(18)19)9(2)20-13/h1,4-8H,2H3,(H,15,17)