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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-(phenylmethyl)propanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-ethyl-propanamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(phenylmethyl)propanamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-ethylpropanamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-N-ethyl-propionamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C22H25N5O2S/c1-4-26(14-18-9-6-5-7-10-18)21(29)16(2)30-22-25-23-15-27(22)20-12-8-11-19(13-20)24-17(3)28/h5-13,15-16H,4,14H2,1-3H3,(H,24,28)