ethyl 2-[[(5E)-4-oxidanylidene-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1H-imidazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[(5E)-4-oxidanylidene-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1H-imidazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[(5E)-4-oxo-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylene]-1H-imidazol-2-yl]sulfanyl]acetate CAS Name: 2-[[(5E)-4-oxo-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1H-imidazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(5E)-4-oxo-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1H-imidazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[(5E)-4-keto-5-[4-(1,2,4-triazol-1-yl)benzylidene]-2-imidazolin-2-yl]thio]acetic acid ethyl ester Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C(=CC2=CC=C(C=C2)N3C=NC=N3)N1

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)/C(=C\C2=CC=C(C=C2)N3C=NC=N3)/N1

InChI

InChI=1S/C16H15N5O3S/c1-2-24-14(22)8-25-16-19-13(15(23)20-16)7-11-3-5-12(6-4-11)21-10-17-9-18-21/h3-7,9-10H,2,8H2,1H3,(H,19,20,23)/b13-7+