2-azanyl-4-[[4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentanedioic acid

Systemtic Name: 2-azanyl-4-[[4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentanedioic acid Openeye Name: 2-amino-4-[(4-benzyl-1,2,4-triazol-3-yl)sulfanyl]pentanedioic acid CAS Name: 2-amino-4-[[4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]pentanedioic acid IUPAC Name: 2-amino-4-[(4-benzyl-1,2,4-triazol-3-yl)sulfanyl]pentanedioic acid Traditional Name: 2-amino-4-[(4-benzyl-1,2,4-triazol-3-yl)thio]glutaric acid Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NN=C2SC(CC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NN=C2SC(CC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C14H16N4O4S/c15-10(12(19)20)6-11(13(21)22)23-14-17-16-8-18(14)7-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7,15H2,(H,19,20)(H,21,22)