5-chloranyl-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-thiadiazole

Systemtic Name: 5-chloranyl-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-thiadiazole Openeye Name: 5-chloro-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]thiadiazole CAS Name: 5-chloro-4-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]thiadiazole IUPAC Name: 5-chloro-4-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]thiadiazole Traditional Name: 5-chloro-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]thiadiazole Formula: C14H16ClN5O4S2 MolecularWeight: 417.89094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=C(SN=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=C(SN=N3)Cl

InChI

InChI=1S/C14H16ClN5O4S2/c1-10-2-3-11(20(21)22)8-13(10)26(23,24)19-6-4-18(5-7-19)9-12-14(15)25-17-16-12/h2-3,8H,4-7,9H2,1H3