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

Systemtic Name: 2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(m-anisidino)-1,3,4-thiadiazol-2-yl]thio]ethyl ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NN=C(S2)SCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NN=C(S2)SCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S2/c1-23-15-9-5-8-14(12-15)19-17-20-21-18(26-17)25-11-10-24-16(22)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,19,20)