N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-keto-4-(2-thienyl)butyramide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H18N4O2S/c1-2-22-12-19-21-18(22)13-5-3-6-14(11-13)20-17(24)9-8-15(23)16-7-4-10-25-16/h3-7,10-12H,2,8-9H2,1H3,(H,20,24)