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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C20H20N6O4S MolecularWeight: 440.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C20H20N6O4S/c1-12-9-17(26(29)30)7-8-18(12)23-19(28)13(2)31-20-24-21-11-25(20)16-6-4-5-15(10-16)22-14(3)27/h4-11,13H,1-3H3,(H,22,27)(H,23,28)