2-chloranyl-4-nitro-N-[5-(3-oxidanylidene-3-phenyl-propyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 2-chloranyl-4-nitro-N-[5-(3-oxidanylidene-3-phenyl-propyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-chloro-4-nitro-N-[5-(3-oxo-3-phenyl-propyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-chloro-4-nitro-N-[5-(3-oxo-3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-chloro-4-nitro-N-[5-(3-oxo-3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2-chloro-N-[5-(3-keto-3-phenyl-propyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C18H13ClN4O4S MolecularWeight: 416.83822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN4O4S/c19-14-10-12(23(26)27)6-7-13(14)17(25)20-18-22-21-16(28-18)9-8-15(24)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,20,22,25)