2-[3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-[3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-[[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-[[2-keto-2-(4-mesylpiperazino)ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide Formula: C15H20N6O4S3 MolecularWeight: 444.5521

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2CC(=O)N)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2CC(=O)N)C3=CC=CS3

InChI

InChI=1S/C15H20N6O4S3/c1-28(24,25)20-6-4-19(5-7-20)13(23)10-27-15-18-17-14(11-3-2-8-26-11)21(15)9-12(16)22/h2-3,8H,4-7,9-10H2,1H3,(H2,16,22)