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

Systemtic Name: 2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]ethyl ester Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S2/c22-16(15-9-5-2-6-10-15)23-11-12-24-18-21-20-17(25-18)19-13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,20)