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

Systemtic Name: 3-methyl-N-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3-methyl-N-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3-methyl-N-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methyl-N-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3-methyl-N-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCCOC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-15-7-6-8-16(13-15)19(25)21-14-18-22-23-20(24(18)2)27-12-11-26-17-9-4-3-5-10-17/h3-10,13H,11-12,14H2,1-2H3,(H,21,25)