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

Systemtic Name: 5-[4-(4-chloranyl-3-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole Openeye Name: 5-[4-(4-chloro-3-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]-3-(p-tolylmethyl)-1,2,4-thiadiazole CAS Name: 5-[4-(4-chloro-3-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole IUPAC Name: 5-[4-(4-chloro-3-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole Traditional Name: 5-[4-(4-chloro-3-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]-3-(4-methylbenzyl)-1,2,4-thiadiazole Formula: C21H22ClN5O4S2 MolecularWeight: 508.01348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN5O4S2/c1-15-3-5-16(6-4-15)13-20-23-21(32-24-20)25-9-2-10-26(12-11-25)33(30,31)17-7-8-18(22)19(14-17)27(28)29/h3-8,14H,2,9-13H2,1H3