butyl 2-chloranyl-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate

Systemtic Name: butyl 2-chloranyl-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate Openeye Name: butyl 2-chloro-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoate CAS Name: 2-chloro-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furanyl]benzoic acid butyl ester IUPAC Name: butyl 2-chloro-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate Traditional Name: 2-chloro-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoic acid butyl ester Formula: C18H17ClN4O3 MolecularWeight: 372.80558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=NN3C=NN=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)/C=N/N3C=NN=C3)Cl

InChI

InChI=1S/C18H17ClN4O3/c1-2-3-8-25-18(24)15-9-13(4-6-16(15)19)17-7-5-14(26-17)10-22-23-11-20-21-12-23/h4-7,9-12H,2-3,8H2,1H3/b22-10+