5-chloranyl-1-cyclohexyl-3-phenylsulfanyl-pyrazin-2-one

Systemtic Name: 5-chloranyl-1-cyclohexyl-3-phenylsulfanyl-pyrazin-2-one Openeye Name: 5-chloro-1-cyclohexyl-3-phenylsulfanyl-pyrazin-2-one CAS Name: 5-chloro-1-cyclohexyl-3-(phenylthio)-2-pyrazinone IUPAC Name: 5-chloro-1-cyclohexyl-3-phenylsulfanylpyrazin-2-one Traditional Name: 5-chloro-1-cyclohexyl-3-(phenylthio)pyrazin-2-one Formula: C16H17ClN2OS MolecularWeight: 320.83698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=C(N=C(C2=O)SC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCC(CC1)N2C=C(N=C(C2=O)SC3=CC=CC=C3)Cl

InChI

InChI=1S/C16H17ClN2OS/c17-14-11-19(12-7-3-1-4-8-12)16(20)15(18-14)21-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2