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

Systemtic Name: 3-[(4-methylphenyl)methyl]-5-(4-methylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Openeye Name: 5-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(p-tolylmethyl)-1,2,4-thiadiazole CAS Name: 3-[(4-methylphenyl)methyl]-5-(4-methylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole IUPAC Name: 3-[(4-methylphenyl)methyl]-5-(4-methylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Traditional Name: 5-(4-mesyl-1,4-diazepan-1-yl)-3-(4-methylbenzyl)-1,2,4-thiadiazole Formula: C16H22N4O2S2 MolecularWeight: 366.50148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S2/c1-13-4-6-14(7-5-13)12-15-17-16(23-18-15)19-8-3-9-20(11-10-19)24(2,21)22/h4-7H,3,8-12H2,1-2H3