3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C24H19N3O3S MolecularWeight: 429.49096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C24H19N3O3S/c25-16-17-8-1-5-12-21(17)31-22-13-6-2-9-18(22)23(28)30-15-7-14-27-20-11-4-3-10-19(20)26-24(27)29/h1-6,8-13H,7,14-15H2,(H,26,29)