methyl (E)-4-[[(5E)-4-oxidanylidene-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1H-imidazol-2-yl]sulfanyl]but-2-enoate

Systemtic Name: methyl (E)-4-[[(5E)-4-oxidanylidene-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1H-imidazol-2-yl]sulfanyl]but-2-enoate Openeye Name: methyl (E)-4-[[(5E)-4-oxo-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylene]-1H-imidazol-2-yl]sulfanyl]but-2-enoate CAS Name: (E)-4-[[(5E)-4-oxo-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1H-imidazol-2-yl]thio]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[[(5E)-4-oxo-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1H-imidazol-2-yl]sulfanyl]but-2-enoate Traditional Name: (E)-4-[[(5E)-4-keto-5-[4-(1,2,4-triazol-1-yl)benzylidene]-2-imidazolin-2-yl]thio]but-2-enoic acid methyl ester Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCSC1=NC(=O)C(=CC2=CC=C(C=C2)N3C=NC=N3)N1

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O3S/c1-25-15(23)3-2-8-26-17-20-14(16(24)21-17)9-12-4-6-13(7-5-12)22-11-18-10-19-22/h2-7,9-11H,8H2,1H3,(H,20,21,24)/b3-2+,14-9+