1-[5-(naphthalen-1-ylamino)-4-(4-nitrophenyl)-1,3,4-thiadiazol-4-ium-2-yl]ethanone

Systemtic Name: 1-[5-(naphthalen-1-ylamino)-4-(4-nitrophenyl)-1,3,4-thiadiazol-4-ium-2-yl]ethanone Openeye Name: 1-[5-(1-naphthylamino)-4-(4-nitrophenyl)-1,3,4-thiadiazol-4-ium-2-yl]ethanone CAS Name: 1-[5-(1-naphthalenylamino)-4-(4-nitrophenyl)-1,3,4-thiadiazol-4-ium-2-yl]ethanone IUPAC Name: 1-[5-(naphthalen-1-ylamino)-4-(4-nitrophenyl)-1,3,4-thiadiazol-4-ium-2-yl]ethanone Traditional Name: 1-[5-(1-naphthylamino)-4-(4-nitrophenyl)-1,3,4-thiadiazol-4-ium-2-yl]ethanone Formula: C20H15N4O3S+ MolecularWeight: 391.4231

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=N[N+](=C(S1)NC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=N[N+](=C(S1)NC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O3S/c1-13(25)19-22-23(15-9-11-16(12-10-15)24(26)27)20(28-19)21-18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,1H3/p+1