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

Systemtic Name: butyl 3-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: butyl 3-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]propanoic acid butyl ester IUPAC Name: butyl 3-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]propionic acid butyl ester Formula: C16H21N3O2S2 MolecularWeight: 351.48684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCSC1=NN=C(S1)NCC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)CCSC1=NN=C(S1)NCC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O2S2/c1-2-3-10-21-14(20)9-11-22-16-19-18-15(23-16)17-12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,17,18)