N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H19N5O2S/c1-17(2,3)13-9-15(24-21-13)19-14(23)10-25-16-18-11-22(20-16)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,19,23)