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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C(C)C)SC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C(C)C)SC

InChI

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