3-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NN=C(S2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NN=C(S2)SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H17N3O2S2/c22-16(23)15-8-4-7-14(11-15)12-24-18-21-20-17(25-18)19-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,19,20)(H,22,23)