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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-propionamide Formula: C21H23N5O3S MolecularWeight: 425.50402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C21H23N5O3S/c1-4-29-19-10-8-16(9-11-19)24-20(28)14(2)30-21-25-22-13-26(21)18-7-5-6-17(12-18)23-15(3)27/h5-14H,4H2,1-3H3,(H,23,27)(H,24,28)