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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-4-26-19(16-8-6-5-7-9-16)24-25-21(26)29-14(2)20(28)23-18-12-10-17(11-13-18)22-15(3)27/h5-14H,4H2,1-3H3,(H,22,27)(H,23,28)