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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-isopropyl-N-phenyl-acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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