2-[4-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(1-cyclopropyl-2-imidazolyl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(1-cyclopropylimidazol-2-yl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C19H21N5O3S2 MolecularWeight: 431.53174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=CN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CC1N2C=CN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H21N5O3S2/c20-13-15-3-1-2-4-17(15)29(26,27)23-11-9-22(10-12-23)18(25)14-28-19-21-7-8-24(19)16-5-6-16/h1-4,7-8,16H,5-6,9-12,14H2