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

Systemtic Name: N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-yl-benzamide Openeye Name: N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-isopropyl-benzamide CAS Name: N-[[4-ethyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylbenzamide Traditional Name: N-[[4-ethyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-4-isopropyl-benzamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC)CNC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCN1C(=NN=C1SC)CNC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C16H22N4OS/c1-5-20-14(18-19-16(20)22-4)10-17-15(21)13-8-6-12(7-9-13)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,17,21)