3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide

Systemtic Name: 3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: 3-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: 3-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: 3-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)propionamide Formula: C21H22N6O4S MolecularWeight: 454.50218

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4S/c28-19(22-17-8-4-5-9-18(17)27(29)30)10-15-32-21-24-23-20(25-11-13-31-14-12-25)26(21)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,22,28)