2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-nitrophenyl)butanamide

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-nitrophenyl)butanamide Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-nitrophenyl)butanamide CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(3-nitrophenyl)butanamide IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-nitrophenyl)butanamide Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(3-nitrophenyl)butyramide Formula: C12H13N5O3S2 MolecularWeight: 339.39332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O3S2/c1-2-9(21-12-16-15-11(13)22-12)10(18)14-7-4-3-5-8(6-7)17(19)20/h3-6,9H,2H2,1H3,(H2,13,15)(H,14,18)