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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)propanamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)propionamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)SC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1OC)SC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C20H21N5O3S/c1-13(19(27)23-17-9-4-5-10-18(17)28-3)29-20-24-21-12-25(20)16-8-6-7-15(11-16)22-14(2)26/h4-13H,1-3H3,(H,22,26)(H,23,27)