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

Systemtic Name: 4-[[5-[(4-chloranylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: 4-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenyl-butanamide CAS Name: 4-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-3-oxo-N-phenylbutanamide IUPAC Name: 4-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenylbutanamide Traditional Name: 4-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-3-keto-N-phenyl-butyramide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN4O3S/c1-2-26-19(13-29-18-10-8-15(22)9-11-18)24-25-21(26)30-14-17(27)12-20(28)23-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,23,28)