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

Systemtic Name: 4-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: 4-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenyl-butanamide CAS Name: 4-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-3-oxo-N-phenylbutanamide IUPAC Name: 4-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenylbutanamide Traditional Name: 4-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-3-keto-N-phenyl-butyramide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2)COC3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2)COC3=CC=CC=C3C

InChI

InChI=1S/C22H24N4O3S/c1-3-26-20(14-29-19-12-8-7-9-16(19)2)24-25-22(26)30-15-18(27)13-21(28)23-17-10-5-4-6-11-17/h4-12H,3,13-15H2,1-2H3,(H,23,28)