N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]butanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]butyramide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)SC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)SC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H17N5O2S/c1-3-13(15(22)18-14-9-11(2)23-20-14)24-16-17-10-21(19-16)12-7-5-4-6-8-12/h4-10,13H,3H2,1-2H3,(H,18,20,22)