2-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-phenyl-amino]ethanoic acid

Systemtic Name: 2-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)acetic acid CAS Name: 2-(N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]anilino)acetic acid IUPAC Name: 2-(N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)acetic acid Traditional Name: 2-(N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]anilino)acetic acid Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC(=O)N(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC(=O)N(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S/c26-18(24(13-19(27)28)16-7-3-1-4-8-16)14-29-21-22-20(15-11-12-15)25(23-21)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,27,28)