2-[(2Z)-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-nitrophenyl)ethanamide Openeye Name: N-(4-nitrophenyl)-2-[(2Z)-2-(p-tolylsulfonylimino)-1,3,4-thiadiazol-3-yl]acetamide CAS Name: 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-nitrophenyl)acetamide Traditional Name: N-(4-nitrophenyl)-2-[(2Z)-2-tosylimino-1,3,4-thiadiazol-3-yl]acetamide Formula: C17H15N5O5S2 MolecularWeight: 433.4615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2N(N=CS2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/N(N=CS2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O5S2/c1-12-2-8-15(9-3-12)29(26,27)20-17-21(18-11-28-17)10-16(23)19-13-4-6-14(7-5-13)22(24)25/h2-9,11H,10H2,1H3,(H,19,23)/b20-17-