5-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-[1-(phenylmethyl)pyrazol-3-yl]-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-[1-(phenylmethyl)pyrazol-3-yl]-1,3,4-thiadiazol-2-amine Openeye Name: N-(1-benzylpyrazol-3-yl)-5-[(3S)-1-methylsulfonyl-3-piperidyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3S)-1-methylsulfonyl-3-piperidinyl]-N-[1-(phenylmethyl)-3-pyrazolyl]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(1-benzylpyrazol-3-yl)-5-[(3S)-1-methylsulfonylpiperidin-3-yl]-1,3,4-thiadiazol-2-amine Traditional Name: (1-benzylpyrazol-3-yl)-[5-[(3S)-1-mesyl-3-piperidyl]-1,3,4-thiadiazol-2-yl]amine Formula: C18H22N6O2S2 MolecularWeight: 418.53628

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C2=NN=C(S2)NC3=NN(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C2=NN=C(S2)NC3=NN(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C18H22N6O2S2/c1-28(25,26)24-10-5-8-15(13-24)17-20-21-18(27-17)19-16-9-11-23(22-16)12-14-6-3-2-4-7-14/h2-4,6-7,9,11,15H,5,8,10,12-13H2,1H3,(H,19,21,22)/t15-/m0/s1