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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-ethyl-acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-ethylacetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-N-ethyl-acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)CSC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)CSC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C21H23N5O2S/c1-3-25(13-17-8-5-4-6-9-17)20(28)14-29-21-24-22-15-26(21)19-11-7-10-18(12-19)23-16(2)27/h4-12,15H,3,13-14H2,1-2H3,(H,23,27)