2-[5-(5-azanyl-1,3,4-thiadiazol-2-yl)-1-(phenylmethyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[5-(5-azanyl-1,3,4-thiadiazol-2-yl)-1-(phenylmethyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzyl-imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[5-(5-amino-1,3,4-thiadiazol-2-yl)-1-(phenylmethyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzylimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[5-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzyl-imidazol-2-yl]thio]acetic acid Formula: C14H13N5O2S2 MolecularWeight: 347.41532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CN=C2SCC(=O)O)C3=NN=C(S3)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CN=C2SCC(=O)O)C3=NN=C(S3)N

InChI

InChI=1S/C14H13N5O2S2/c15-13-18-17-12(23-13)10-6-16-14(22-8-11(20)21)19(10)7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H2,15,18)(H,20,21)