4-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitro-benzamide Formula: C12H12N4O3S3 MolecularWeight: 356.44368

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S3/c1-2-20-11-14-15-12(22-11)21-6-8-4-3-7(10(13)17)5-9(8)16(18)19/h3-5H,2,6H2,1H3,(H2,13,17)