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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide Openeye Name: 2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-methylpropanamide IUPAC Name: 2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide Traditional Name: 2-[(5-benzyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]-N-methyl-propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-4-27-18-12-10-17(11-13-18)25-19(14-16-8-6-5-7-9-16)23-24-21(25)28-15(2)20(26)22-3/h5-13,15H,4,14H2,1-3H3,(H,22,26)