2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethyl benzoate

Systemtic Name: 2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethyl benzoate Openeye Name: 2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[2-(2-pyrrolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]ethyl ester IUPAC Name: 2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)thio]ethyl ester Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCSC2=NNC(=C3C=CC=N3)O2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCSC2=NNC(=C3C=CC=N3)O2

InChI

InChI=1S/C15H13N3O3S/c19-14(11-5-2-1-3-6-11)20-9-10-22-15-18-17-13(21-15)12-7-4-8-16-12/h1-8,17H,9-10H2