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

Systemtic Name: 2-[4-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C20H20N6O3S3 MolecularWeight: 488.6062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=CC=CS4

InChI

InChI=1S/C20H20N6O3S3/c1-24-19(16-6-4-12-30-16)22-23-20(24)31-14-18(27)25-8-10-26(11-9-25)32(28,29)17-7-3-2-5-15(17)13-21/h2-7,12H,8-11,14H2,1H3