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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H21ClN6O4S MolecularWeight: 452.91514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NN=C(N2C3CC3)N4CCOCC4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NN=C(N2C3CC3)N4CCOCC4

InChI

InChI=1S/C18H21ClN6O4S/c1-11(16(26)20-15-10-13(25(27)28)4-5-14(15)19)30-18-22-21-17(24(18)12-2-3-12)23-6-8-29-9-7-23/h4-5,10-12H,2-3,6-9H2,1H3,(H,20,26)