2-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C20H24N6O3S2 MolecularWeight: 460.57296

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4CC4

InChI

InChI=1S/C20H24N6O3S2/c1-2-26-19(15-7-8-15)22-23-20(26)30-14-18(27)24-9-11-25(12-10-24)31(28,29)17-6-4-3-5-16(17)13-21/h3-6,15H,2,7-12,14H2,1H3