2-(4-nitrophenyl)sulfanyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-[(4-nitrophenyl)thio]acetamide Formula: C13H12N4O3S3 MolecularWeight: 368.45438

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O3S3/c1-2-7-21-13-16-15-12(23-13)14-11(18)8-22-10-5-3-9(4-6-10)17(19)20/h2-6H,1,7-8H2,(H,14,15,18)