N-[4-[4-ethyl-5-(2-oxidanylidenepropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[4-ethyl-5-(2-oxidanylidenepropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-(5-acetonylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-benzamide CAS Name: N-[4-[4-ethyl-5-(2-oxopropylthio)-1,2,4-triazol-3-yl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[4-ethyl-5-(2-oxopropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]-2-methylbenzamide Traditional Name: N-[4-[5-(acetonylthio)-4-ethyl-1,2,4-triazol-3-yl]phenyl]-2-methyl-benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H22N4O2S/c1-4-25-19(23-24-21(25)28-13-15(3)26)16-9-11-17(12-10-16)22-20(27)18-8-6-5-7-14(18)2/h5-12H,4,13H2,1-3H3,(H,22,27)