ethyl 2-[(4E)-1-ethanoyl-5-oxidanylidene-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]imidazol-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[(4E)-1-ethanoyl-5-oxidanylidene-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]imidazol-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[(4E)-1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylene]imidazol-2-yl]sulfanylacetate CAS Name: 2-[[(4E)-1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4E)-1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[(4E)-1-acetyl-5-keto-4-[4-(1,2,4-triazol-1-yl)benzylidene]-2-imidazolin-2-yl]thio]acetic acid ethyl ester Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=CC2=CC=C(C=C2)N3C=NC=N3)C(=O)N1C(=O)C

Isomeric SMILES

CCOC(=O)CSC1=N/C(=C/C2=CC=C(C=C2)N3C=NC=N3)/C(=O)N1C(=O)C

InChI

InChI=1S/C18H17N5O4S/c1-3-27-16(25)9-28-18-21-15(17(26)23(18)12(2)24)8-13-4-6-14(7-5-13)22-11-19-10-20-22/h4-8,10-11H,3,9H2,1-2H3/b15-8+