4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-2-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-one

Systemtic Name: 4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-2-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-one Openeye Name: 4-methyl-5-(1-methylsulfonyl-3-piperidyl)-2-(1-naphthylmethyl)-1,2,4-triazol-3-one CAS Name: 4-methyl-5-(1-methylsulfonyl-3-piperidinyl)-2-(1-naphthalenylmethyl)-1,2,4-triazol-3-one IUPAC Name: 4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-2-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-one Traditional Name: 5-(1-mesyl-3-piperidyl)-4-methyl-2-(1-naphthylmethyl)-1,2,4-triazol-3-one Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC2=CC=CC3=CC=CC=C32)C4CCCN(C4)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC2=CC=CC3=CC=CC=C32)C4CCCN(C4)S(=O)(=O)C

InChI

InChI=1S/C20H24N4O3S/c1-22-19(17-10-6-12-23(13-17)28(2,26)27)21-24(20(22)25)14-16-9-5-8-15-7-3-4-11-18(15)16/h3-5,7-9,11,17H,6,10,12-14H2,1-2H3