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

Systemtic Name: 4-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: 4-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenyl-butanamide CAS Name: 4-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-3-oxo-N-phenylbutanamide IUPAC Name: 4-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenylbutanamide Traditional Name: 3-keto-4-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-15-8-6-7-11-18(15)28-13-19-23-24-21(25(19)2)29-14-17(26)12-20(27)22-16-9-4-3-5-10-16/h3-11H,12-14H2,1-2H3,(H,22,27)