3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-4-nitro-phenyl)propanamide

Systemtic Name: 3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-4-nitro-phenyl)propanamide Openeye Name: 3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-4-nitro-phenyl)propanamide CAS Name: 3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-methoxy-4-nitrophenyl)propanamide IUPAC Name: 3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-4-nitrophenyl)propanamide Traditional Name: 3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-methoxy-4-nitro-phenyl)propionamide Formula: C15H17N5O4S2 MolecularWeight: 395.45658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=C(S2)NC3CC3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=C(S2)NC3CC3

InChI

InChI=1S/C15H17N5O4S2/c1-24-12-8-10(20(22)23)4-5-11(12)17-13(21)6-7-25-15-19-18-14(26-15)16-9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,18)(H,17,21)