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

Systemtic Name: 3-[(4-methylphenyl)methyl]-5-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Openeye Name: 5-[4-(2-naphthylsulfonyl)-1,4-diazepan-1-yl]-3-(p-tolylmethyl)-1,2,4-thiadiazole CAS Name: 3-[(4-methylphenyl)methyl]-5-[4-(2-naphthalenylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole IUPAC Name: 3-[(4-methylphenyl)methyl]-5-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Traditional Name: 3-(4-methylbenzyl)-5-[4-(2-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=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

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