2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(phenylmethyl)propanamide

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide Traditional Name: N-benzyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)N(C)CC3=CC=CC=C3

InChI

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