1-(2-methylpiperidin-1-yl)-2-[[4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(2-methylpiperidin-1-yl)-2-[[4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2-methyl-1-piperidyl)-2-[[4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-methyl-1-piperidinyl)-2-[[4-methyl-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2-methylpiperidin-1-yl)-2-[[4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2-methylpiperidino)-2-[[4-methyl-5-(4-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H29N5O3S2 MolecularWeight: 463.61666

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H29N5O3S2/c1-16-7-3-4-14-26(16)19(27)15-30-21-23-22-20(24(21)2)17-8-10-18(11-9-17)31(28,29)25-12-5-6-13-25/h8-11,16H,3-7,12-15H2,1-2H3