3-[(4-methylphenyl)methyl]-5-(4-naphthalen-1-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole

Systemtic Name: 3-[(4-methylphenyl)methyl]-5-(4-naphthalen-1-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Openeye Name: 5-[4-(1-naphthylsulfonyl)-1,4-diazepan-1-yl]-3-(p-tolylmethyl)-1,2,4-thiadiazole CAS Name: 3-[(4-methylphenyl)methyl]-5-[4-(1-naphthalenylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole IUPAC Name: 3-[(4-methylphenyl)methyl]-5-(4-naphthalen-1-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Traditional Name: 3-(4-methylbenzyl)-5-[4-(1-naphthylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole Formula: C25H26N4O2S2 MolecularWeight: 478.62954

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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=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H26N4O2S2/c1-19-10-12-20(13-11-19)18-24-26-25(32-27-24)28-14-5-15-29(17-16-28)33(30,31)23-9-4-7-21-6-2-3-8-22(21)23/h2-4,6-13H,5,14-18H2,1H3