5-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole

Systemtic Name: 5-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole Openeye Name: 5-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]-3-(p-tolylmethyl)-1,2,4-thiadiazole CAS Name: 5-[3-methyl-4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole IUPAC Name: 5-[3-methyl-4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole Traditional Name: 3-(4-methylbenzyl)-5-(3-methyl-4-nosyl-piperazino)-1,2,4-thiadiazole Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=NS3)CC4=CC=C(C=C4)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=NS3)CC4=CC=C(C=C4)C

InChI

InChI=1S/C21H23N5O4S2/c1-15-3-5-17(6-4-15)13-20-22-21(31-23-20)24-11-12-25(16(2)14-24)32(29,30)19-9-7-18(8-10-19)26(27)28/h3-10,16H,11-14H2,1-2H3