2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)propanamide

Systemtic Name: 2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)propanamide Openeye Name: 2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)propanamide CAS Name: 2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]thio]-N-(3-methylphenyl)propanamide IUPAC Name: 2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)propanamide Traditional Name: 2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]thio]-N-(m-tolyl)propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NN=C(N2C)C(C)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NN=C(N2C)C(C)OC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-14-9-8-10-17(13-14)22-20(26)16(3)28-21-24-23-19(25(21)4)15(2)27-18-11-6-5-7-12-18/h5-13,15-16H,1-4H3,(H,22,26)