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

Systemtic Name: 3-[(4-methylphenyl)methyl]-5-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Openeye Name: 5-(4-isopropylsulfonyl-1,4-diazepan-1-yl)-3-(p-tolylmethyl)-1,2,4-thiadiazole CAS Name: 3-[(4-methylphenyl)methyl]-5-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole IUPAC Name: 3-[(4-methylphenyl)methyl]-5-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Traditional Name: 5-(4-isopropylsulfonyl-1,4-diazepan-1-yl)-3-(4-methylbenzyl)-1,2,4-thiadiazole Formula: C18H26N4O2S2 MolecularWeight: 394.55464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O2S2/c1-14(2)26(23,24)22-10-4-9-21(11-12-22)18-19-17(20-25-18)13-16-7-5-15(3)6-8-16/h5-8,14H,4,9-13H2,1-3H3