N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[(4-nitrophenyl)thio]propionamide Formula: C13H14N4O3S3 MolecularWeight: 370.47026

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S3/c1-3-21-13-16-15-12(23-13)14-11(18)8(2)22-10-6-4-9(5-7-10)17(19)20/h4-8H,3H2,1-2H3,(H,14,15,18)