3-[(3S)-1-(phenylsulfonyl)piperidin-3-yl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(3S)-1-(phenylsulfonyl)piperidin-3-yl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[(3S)-1-(benzenesulfonyl)-3-piperidyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3S)-1-(benzenesulfonyl)-3-piperidinyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[(3S)-1-besyl-3-piperidyl]-1H-1,2,4-triazole-5-thione Formula: C16H20N4O2S2 MolecularWeight: 364.4856

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NNC1=S)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4O2S2/c1-2-10-20-15(17-18-16(20)23)13-7-6-11-19(12-13)24(21,22)14-8-4-3-5-9-14/h2-5,8-9,13H,1,6-7,10-12H2,(H,18,23)/t13-/m0/s1