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

Systemtic Name: 2-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C19H22N6O3S2 MolecularWeight: 446.54638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H22N6O3S2/c1-14-21-22-19(25(14)16-6-7-16)29-13-18(26)23-8-10-24(11-9-23)30(27,28)17-5-3-2-4-15(17)12-20/h2-5,16H,6-11,13H2,1H3