N-[5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pentyl-benzamide

Systemtic Name: N-[5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pentyl-benzamide Openeye Name: N-[5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pentyl-benzamide CAS Name: N-[5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-pentylbenzamide IUPAC Name: N-[5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pentylbenzamide Traditional Name: 4-amyl-N-[5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S2/c1-2-3-4-6-15-9-11-16(12-10-15)20(28)23-21-24-25-22(32-21)31-14-19(27)17-7-5-8-18(13-17)26(29)30/h5,7-13H,2-4,6,14H2,1H3,(H,23,24,28)