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

Systemtic Name: N-(3-acetamidophenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-acetamidophenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(3-acetamidophenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-acetamidophenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-acetamidophenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=CC(=C3)NC(=O)C

InChI

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