3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C26H23N5O3S MolecularWeight: 485.55752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OCCCN4C5=CC=CC=C5NC4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OCCCN4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C26H23N5O3S/c32-23(34-17-9-16-30-22-15-8-7-14-21(22)27-25(30)33)18-35-26-29-28-24(19-10-3-1-4-11-19)31(26)20-12-5-2-6-13-20/h1-8,10-15H,9,16-18H2,(H,27,33)