1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C19H27N5O3S2 MolecularWeight: 437.57938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H27N5O3S2/c1-3-5-17-20-21-19(28)24(17)14-18(25)22-10-4-11-23(13-12-22)29(26,27)16-8-6-15(2)7-9-16/h6-9H,3-5,10-14H2,1-2H3,(H,21,28)