6-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3H-1,3-benzoxazol-2-one

Systemtic Name: 6-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3H-1,3-benzoxazol-2-one Openeye Name: 6-[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3H-1,3-benzoxazol-2-one CAS Name: 6-[1-oxo-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 6-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3H-1,3-benzoxazol-2-one Traditional Name: 6-[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]-3H-1,3-benzoxazol-2-one Formula: C22H15N5O3S MolecularWeight: 429.4512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC4=C(C=C3)NC(=O)O4)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC4=C(C=C3)NC(=O)O4)C5=CC=NC=C5

InChI

InChI=1S/C22H15N5O3S/c28-18(15-6-7-17-19(12-15)30-22(29)24-17)13-31-21-26-25-20(14-8-10-23-11-9-14)27(21)16-4-2-1-3-5-16/h1-12H,13H2,(H,24,29)