2-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(3-imidazo[1,5-a]pyridinylthio)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(imidazo[1,5-a]pyridin-3-ylthio)acetyl]piperazino]sulfonylbenzonitrile Formula: C20H19N5O3S2 MolecularWeight: 441.52656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=C3N2C=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=C3N2C=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H19N5O3S2/c21-13-16-5-1-2-7-18(16)30(27,28)24-11-9-23(10-12-24)19(26)15-29-20-22-14-17-6-3-4-8-25(17)20/h1-8,14H,9-12,15H2