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

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

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=C(S2)N

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=C(S2)N

InChI

InChI=1S/C12H13N5O4S2/c1-6(22-12-16-15-11(13)23-12)10(18)14-8-5-7(17(19)20)3-4-9(8)21-2/h3-6H,1-2H3,(H2,13,15)(H,14,18)