5-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylpyridin-2-yl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylpyridin-2-yl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-[[5-[(4-benzyl-1-piperidyl)sulfonyl]-2-pyridyl]sulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[[5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-2-pyridinyl]thio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[5-(4-benzylpiperidin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-[[5-(4-benzylpiperidino)sulfonyl-2-pyridyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C22H25N5O2S3 MolecularWeight: 487.6612

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SC2=NC=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C=CCNC1=NN=C(S1)SC2=NC=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2S3/c1-2-12-23-21-25-26-22(31-21)30-20-9-8-19(16-24-20)32(28,29)27-13-10-18(11-14-27)15-17-6-4-3-5-7-17/h2-9,16,18H,1,10-15H2,(H,23,25)