5-chloranyl-3-phenyl-1-(phenylmethyl)-6-(prop-2-ynylsulfanylmethyl)pyrazin-2-one

Systemtic Name: 5-chloranyl-3-phenyl-1-(phenylmethyl)-6-(prop-2-ynylsulfanylmethyl)pyrazin-2-one Openeye Name: 1-benzyl-5-chloro-3-phenyl-6-(prop-2-ynylsulfanylmethyl)pyrazin-2-one CAS Name: 5-chloro-3-phenyl-1-(phenylmethyl)-6-[(prop-2-ynylthio)methyl]-2-pyrazinone IUPAC Name: 1-benzyl-5-chloro-3-phenyl-6-(prop-2-ynylsulfanylmethyl)pyrazin-2-one Traditional Name: 1-benzyl-5-chloro-3-phenyl-6-[(propargylthio)methyl]pyrazin-2-one Formula: C21H17ClN2OS MolecularWeight: 380.89048

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSCC1=C(N=C(C(=O)N1CC2=CC=CC=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

C#CCSCC1=C(N=C(C(=O)N1CC2=CC=CC=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H17ClN2OS/c1-2-13-26-15-18-20(22)23-19(17-11-7-4-8-12-17)21(25)24(18)14-16-9-5-3-6-10-16/h1,3-12H,13-15H2