4-cyclopropyl-3-[2-oxidanylidene-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-cyclopropyl-3-[2-oxidanylidene-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[2-oxo-2-(3-phenylisoxazol-5-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[[2-oxo-2-(3-phenyl-5-isoxazolyl)ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[[2-keto-2-(3-phenylisoxazol-5-yl)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC(=O)C3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC(=O)C3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C16H14N4O3S/c21-13(9-24-16-18-17-15(22)20(16)11-6-7-11)14-8-12(19-23-14)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,17,22)