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

Systemtic Name: 3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C12H13N5O4S2 MolecularWeight: 355.39272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O4S2/c1-21-9-3-2-7(17(19)20)6-8(9)14-10(18)4-5-22-12-16-15-11(13)23-12/h2-3,6H,4-5H2,1H3,(H2,13,15)(H,14,18)