2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-methyl-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-methyl-N-(4-nitrophenyl)acetamide Formula: C22H22N6O4S MolecularWeight: 466.51288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)N(C)C3=CC=C(C=C3)[N+](=O)[O-])C4CC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)N(C)C3=CC=C(C=C3)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C22H22N6O4S/c1-14(29)23-16-4-3-5-19(12-16)27-21(15-6-7-15)24-25-22(27)33-13-20(30)26(2)17-8-10-18(11-9-17)28(31)32/h3-5,8-12,15H,6-7,13H2,1-2H3,(H,23,29)