2-[[5-(3-nitropyridin-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[5-(3-nitropyridin-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[5-[(3-nitro-2-pyridyl)sulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-[(3-nitro-2-pyridinyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-propylacetamide IUPAC Name: 2-[[5-(3-nitropyridin-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[5-[(3-nitro-2-pyridyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-propyl-acetamide Formula: C12H13N5O3S3 MolecularWeight: 371.45832

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(S1)SC2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(S1)SC2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O3S3/c1-2-5-13-9(18)7-21-11-15-16-12(23-11)22-10-8(17(19)20)4-3-6-14-10/h3-4,6H,2,5,7H2,1H3,(H,13,18)