3-nitro-N-[2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoyl]benzamide

Systemtic Name: 3-nitro-N-[2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoyl]benzamide Openeye Name: N-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-nitro-benzamide CAS Name: N-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-nitrobenzamide Traditional Name: N-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]acetyl]-3-nitro-benzamide Formula: C17H13N5O4S2 MolecularWeight: 415.44622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5O4S2/c23-14(19-15(24)11-5-4-8-13(9-11)22(25)26)10-27-17-21-20-16(28-17)18-12-6-2-1-3-7-12/h1-9H,10H2,(H,18,20)(H,19,23,24)