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

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)propanamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(o-tolyl)propanamide CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)propanamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)propanamide Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(o-tolyl)propionamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC=C2C)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC=C2C)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-4-25-19(14-17-11-6-5-7-12-17)23-24-21(25)27-16(3)20(26)22-18-13-9-8-10-15(18)2/h5-13,16H,4,14H2,1-3H3,(H,22,26)