5-chloranyl-3-methoxy-1-(phenylmethyl)-6-(prop-2-ynylsulfonylmethyl)pyrazin-2-one

Systemtic Name: 5-chloranyl-3-methoxy-1-(phenylmethyl)-6-(prop-2-ynylsulfonylmethyl)pyrazin-2-one Openeye Name: 1-benzyl-5-chloro-3-methoxy-6-(prop-2-ynylsulfonylmethyl)pyrazin-2-one CAS Name: 5-chloro-3-methoxy-1-(phenylmethyl)-6-(prop-2-ynylsulfonylmethyl)-2-pyrazinone IUPAC Name: 1-benzyl-5-chloro-3-methoxy-6-(prop-2-ynylsulfonylmethyl)pyrazin-2-one Traditional Name: 1-benzyl-5-chloro-3-methoxy-6-(propargylsulfonylmethyl)pyrazin-2-one Formula: C16H15ClN2O4S MolecularWeight: 366.8193

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(N(C1=O)CC2=CC=CC=C2)CS(=O)(=O)CC#C)Cl

Isomeric SMILES

COC1=NC(=C(N(C1=O)CC2=CC=CC=C2)CS(=O)(=O)CC#C)Cl

InChI

InChI=1S/C16H15ClN2O4S/c1-3-9-24(21,22)11-13-14(17)18-15(23-2)16(20)19(13)10-12-7-5-4-6-8-12/h1,4-8H,9-11H2,2H3