2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]ethyl ester Formula: C14H15N3O2S2 MolecularWeight: 321.4178

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

C=CCNC1=NN=C(S1)SCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H15N3O2S2/c1-2-8-15-13-16-17-14(21-13)20-10-9-19-12(18)11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,15,16)