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

Systemtic Name: 3-[(4-methylphenyl)methyl]-5-[4-(4-nitrophenyl)piperazin-1-yl]-1,2,4-thiadiazole Openeye Name: 5-[4-(4-nitrophenyl)piperazin-1-yl]-3-(p-tolylmethyl)-1,2,4-thiadiazole CAS Name: 3-[(4-methylphenyl)methyl]-5-[4-(4-nitrophenyl)-1-piperazinyl]-1,2,4-thiadiazole IUPAC Name: 3-[(4-methylphenyl)methyl]-5-[4-(4-nitrophenyl)piperazin-1-yl]-1,2,4-thiadiazole Traditional Name: 3-(4-methylbenzyl)-5-[4-(4-nitrophenyl)piperazino]-1,2,4-thiadiazole Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O2S/c1-15-2-4-16(5-3-15)14-19-21-20(28-22-19)24-12-10-23(11-13-24)17-6-8-18(9-7-17)25(26)27/h2-9H,10-14H2,1H3