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

Systemtic Name: tert-butyl 2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid tert-butyl ester Formula: C15H19N3O2S2 MolecularWeight: 337.46026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(S1)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(S1)NCC2=CC=CC=C2

InChI

InChI=1S/C15H19N3O2S2/c1-15(2,3)20-12(19)10-21-14-18-17-13(22-14)16-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,17)