butyl 4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylbenzoate

Systemtic Name: butyl 4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylbenzoate Openeye Name: butyl 4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylbenzoate CAS Name: 4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylbenzoic acid butyl ester IUPAC Name: butyl 4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylbenzoate Traditional Name: 4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylbenzoic acid butyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C19H19N3O4S/c1-2-3-12-26-19(23)15-4-8-17(9-5-15)27(24,25)18-10-6-16(7-11-18)22-14-20-13-21-22/h4-11,13-14H,2-3,12H2,1H3