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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]propionamide Formula: C13H13ClN4O3S3 MolecularWeight: 404.91532

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)SC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCSC1=NN=C(S1)SC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H13ClN4O3S3/c1-3-22-12-16-17-13(24-12)23-7(2)11(19)15-10-5-4-8(18(20)21)6-9(10)14/h4-7H,3H2,1-2H3,(H,15,19)