1-[3-nitro-4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone Openeye Name: 1-[4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-3-nitro-phenyl]ethanone Formula: C16H12N4O3S2 MolecularWeight: 372.42148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O3S2/c1-10(21)11-7-8-14(13(9-11)20(22)23)24-16-19-18-15(25-16)17-12-5-3-2-4-6-12/h2-9H,1H3,(H,17,18)