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

Systemtic Name: 4-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoic acid Openeye Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoic acid CAS Name: 4-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]butanoic acid IUPAC Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoic acid Traditional Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]butyric acid Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SCCCC(=O)O

InChI

InChI=1S/C13H15N3O2S2/c17-11(18)7-4-8-19-13-16-15-12(20-13)14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,15)(H,17,18)